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Port details on branch 2022Q2
avogadrolibs Avogadro2 libraries for chemical editor and visualization applications
1.99.0 science on this many watch lists=0 search for ports that depend on this port Find issues related to this port Report an issue related to this port View this port on Repology. pkg-fallout 1.97.0_3Version of this port present on the latest quarterly branch.
Maintainer: yuri@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2018-10-17 01:02:48
Last Update: 2024-02-12 23:07:35
Commit Hash: e2d8c2c
License: GPLv2
WWW:
https://www.openchemistry.org/projects/avogadro2/
Description:
Libraries that are a foundation of the Avogadro 2 project. Avogadro 2 is a chemical editor and visualization application, it is also a set of reusable software libraries written in C++ using principles of modularity for maximum reuse. The development of the first generation Avogadro application and library is documented in our paper, and this remains the preferred method of citation at present. The motivation for rewriting Avogadro, along with improvements and changes made in Avogadro 2 are summarized in our Source article. We provide a set of permissively licensed, open source, cross platform software components in the Avogadro 2 libraries, along with an end-user application with full source code, and binaries. The library features updated and improved rendering, where we built upon the abstraction provided by previous API, but implemented a simple scene graph. This makes use of features such as impostor sphere rendering, resulting in significant rendering speed improvements while improving the quality of the visualization. The core is built for scalability, looking to enable the analysis of larger chemical structures and simulations being produced by computational chemistry codes today. Emphasis has also been placed on making it even easier to extend, using simple Python scripts to add simulation input capabilities, and data input/output along with access to full-blown C++ plugin APIs where more control is required.
Homepage    cgit ¦ Codeberg ¦ GitHub ¦ GitLab ¦ SVNWeb

Manual pages:
FreshPorts has no man page information for this port.
pkg-plist: as obtained via: make generate-plist
Expand this list (2004 items)
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  1. @ldconfig
  2. /usr/local/share/licenses/avogadrolibs-1.99.0/catalog.mk
  3. /usr/local/share/licenses/avogadrolibs-1.99.0/LICENSE
  4. /usr/local/share/licenses/avogadrolibs-1.99.0/GPLv2
  5. @comment bin/genXrdPattern
  6. include/avogadro/calc/avogadrocalcexport.h
  7. include/avogadro/calc/chargemanager.h
  8. include/avogadro/calc/chargemodel.h
  9. include/avogadro/calc/defaultmodel.h
  10. include/avogadro/calc/energycalculator.h
  11. include/avogadro/calc/energymanager.h
  12. include/avogadro/calc/lennardjones.h
  13. include/avogadro/core/angleiterator.h
  14. include/avogadro/core/angletools.h
  15. include/avogadro/core/array.h
  16. include/avogadro/core/atom.h
  17. include/avogadro/core/atomtyper-inline.h
  18. include/avogadro/core/atomtyper.h
  19. include/avogadro/core/atomutilities.h
  20. include/avogadro/core/avogadrocore.h
  21. include/avogadro/core/avogadrocoreexport.h
  22. include/avogadro/core/avospglib.h
  23. include/avogadro/core/basisset.h
  24. include/avogadro/core/bond.h
  25. include/avogadro/core/color3f.h
  26. include/avogadro/core/coordinateblockgenerator.h
  27. include/avogadro/core/coordinateset.h
  28. include/avogadro/core/crystaltools.h
  29. include/avogadro/core/cube.h
  30. include/avogadro/core/dihedraliterator.h
  31. include/avogadro/core/elements.h
  32. include/avogadro/core/gaussianset.h
  33. include/avogadro/core/gaussiansettools.h
  34. include/avogadro/core/graph.h
  35. include/avogadro/core/layer.h
  36. include/avogadro/core/layermanager.h
  37. include/avogadro/core/matrix.h
  38. include/avogadro/core/mesh.h
  39. include/avogadro/core/molecule.h
  40. include/avogadro/core/mutex.h
  41. include/avogadro/core/nameatomtyper.h
  42. include/avogadro/core/neighborperceiver.h
  43. include/avogadro/core/residue.h
  44. include/avogadro/core/ringperceiver.h
  45. include/avogadro/core/secondarystructure.h
  46. include/avogadro/core/sharedmutex.h
  47. include/avogadro/core/slaterset.h
  48. include/avogadro/core/slatersettools.h
  49. include/avogadro/core/spacegroups.h
  50. include/avogadro/core/symbolatomtyper.h
  51. include/avogadro/core/types.h
  52. include/avogadro/core/unitcell.h
  53. include/avogadro/core/utilities.h
  54. include/avogadro/core/variant-inline.h
  55. include/avogadro/core/variant.h
  56. include/avogadro/core/variantmap.h
  57. include/avogadro/core/vector.h
  58. include/avogadro/core/version.h
  59. include/avogadro/io/avogadroioexport.h
  60. include/avogadro/io/cjsonformat.h
  61. include/avogadro/io/cmlformat.h
  62. include/avogadro/io/cmsgpackformat.h
  63. include/avogadro/io/dcdformat.h
  64. include/avogadro/io/fileformat.h
  65. include/avogadro/io/fileformatmanager.h
  66. include/avogadro/io/gromacsformat.h
  67. include/avogadro/io/hdf5dataformat.h
  68. include/avogadro/io/lammpsformat.h
  69. include/avogadro/io/mdlformat.h
  70. include/avogadro/io/mmtfformat.h
  71. include/avogadro/io/pdbformat.h
  72. include/avogadro/io/trrformat.h
  73. include/avogadro/io/turbomoleformat.h
  74. include/avogadro/io/vaspformat.h
  75. include/avogadro/io/xyzformat.h
  76. include/avogadro/molequeue/avogadromolequeueexport.h
  77. include/avogadro/molequeue/batchjob.h
  78. include/avogadro/molequeue/inputgenerator.h
  79. include/avogadro/molequeue/inputgeneratordialog.h
  80. include/avogadro/molequeue/inputgeneratorwidget.h
  81. include/avogadro/molequeue/molequeuedialog.h
  82. include/avogadro/molequeue/molequeuemanager.h
  83. include/avogadro/molequeue/molequeuequeuelistmodel.h
  84. include/avogadro/molequeue/molequeuewidget.h
  85. include/avogadro/qtgui/avogadroqtguiexport.h
  86. include/avogadro/qtgui/backgroundfileformat.h
  87. include/avogadro/qtgui/colorbutton.h
  88. include/avogadro/qtgui/containerwidget.h
  89. include/avogadro/qtgui/customelementdialog.h
  90. include/avogadro/qtgui/elementtranslator.h
  91. include/avogadro/qtgui/extensionplugin.h
  92. include/avogadro/qtgui/filebrowsewidget.h
  93. include/avogadro/qtgui/fileformatdialog.h
  94. include/avogadro/qtgui/generichighlighter.h
  95. include/avogadro/qtgui/hydrogentools.h
  96. include/avogadro/qtgui/insertfragmentdialog.h
  97. include/avogadro/qtgui/interfacescript.h
  98. include/avogadro/qtgui/interfacewidget.h
  99. include/avogadro/qtgui/jsonwidget.h
  100. include/avogadro/qtgui/layermodel.h
  101. include/avogadro/qtgui/meshgenerator.h
  102. include/avogadro/qtgui/molecule.h
  103. include/avogadro/qtgui/moleculemodel.h
  104. include/avogadro/qtgui/multiviewwidget.h
  105. include/avogadro/qtgui/periodictableview.h
  106. include/avogadro/qtgui/persistentatom.h
  107. include/avogadro/qtgui/persistentbond.h
  108. include/avogadro/qtgui/pluginlayermanager.h
  109. include/avogadro/qtgui/pythonscript.h
  110. include/avogadro/qtgui/rwlayermanager.h
  111. include/avogadro/qtgui/rwmolecule.h
  112. include/avogadro/qtgui/sceneplugin.h
  113. include/avogadro/qtgui/scenepluginmodel.h
  114. include/avogadro/qtgui/scriptloader.h
  115. include/avogadro/qtgui/sortfiltertreeproxymodel.h
  116. include/avogadro/qtgui/toolplugin.h
  117. include/avogadro/qtgui/utilities.h
  118. include/avogadro/qtgui/viewfactory.h
  119. include/avogadro/qtopengl/activeobjects.h
  120. include/avogadro/qtopengl/avogadroqtopenglexport.h
  121. include/avogadro/qtopengl/glwidget.h
  122. include/avogadro/qtopengl/qttextrenderstrategy.h
  123. include/avogadro/qtplugins/avogadroqtpluginsexport.h
  124. include/avogadro/qtplugins/avogadrostaticqtplugins.h
  125. include/avogadro/qtplugins/pluginfactory.h
  126. include/avogadro/qtplugins/pluginmanager.h
  127. include/avogadro/quantumio/avogadroquantumioexport.h
  128. include/avogadro/quantumio/gamessus.h
  129. include/avogadro/quantumio/gaussiancube.h
  130. include/avogadro/quantumio/gaussianfchk.h
  131. include/avogadro/quantumio/genericoutput.h
  132. include/avogadro/quantumio/molden.h
  133. include/avogadro/quantumio/mopacaux.h
  134. include/avogadro/quantumio/nwchemjson.h
  135. include/avogadro/quantumio/nwchemlog.h
  136. include/avogadro/quantumio/orca.h
  137. include/avogadro/rendering/arcsector.h
  138. include/avogadro/rendering/arcstrip.h
  139. include/avogadro/rendering/arrowgeometry.h
  140. include/avogadro/rendering/avogadrogl.h
  141. include/avogadro/rendering/avogadrorendering.h
  142. include/avogadro/rendering/avogadrorenderingexport.h
  143. include/avogadro/rendering/beziergeometry.h
  144. include/avogadro/rendering/bsplinegeometry.h
  145. include/avogadro/rendering/bufferobject.h
  146. include/avogadro/rendering/camera.h
  147. include/avogadro/rendering/cartoongeometry.h
  148. include/avogadro/rendering/curvegeometry.h
  149. include/avogadro/rendering/cylindergeometry.h
  150. include/avogadro/rendering/dashedlinegeometry.h
  151. include/avogadro/rendering/drawable.h
  152. include/avogadro/rendering/geometrynode.h
  153. include/avogadro/rendering/geometryvisitor.h
  154. include/avogadro/rendering/glrenderer.h
  155. include/avogadro/rendering/glrendervisitor.h
  156. include/avogadro/rendering/groupnode.h
  157. include/avogadro/rendering/linestripgeometry.h
  158. include/avogadro/rendering/meshgeometry.h
  159. include/avogadro/rendering/node.h
  160. include/avogadro/rendering/plyvisitor.h
  161. include/avogadro/rendering/povrayvisitor.h
  162. include/avogadro/rendering/primitive.h
  163. include/avogadro/rendering/quad.h
  164. include/avogadro/rendering/quadoutline.h
  165. include/avogadro/rendering/scene.h
  166. include/avogadro/rendering/shader.h
  167. include/avogadro/rendering/shaderprogram.h
  168. include/avogadro/rendering/solidpipeline.h
  169. include/avogadro/rendering/spheregeometry.h
  170. include/avogadro/rendering/textlabel2d.h
  171. include/avogadro/rendering/textlabel3d.h
  172. include/avogadro/rendering/textlabelbase.h
  173. include/avogadro/rendering/textproperties.h
  174. include/avogadro/rendering/textrenderstrategy.h
  175. include/avogadro/rendering/texture2d.h
  176. include/avogadro/rendering/transformnode.h
  177. include/avogadro/rendering/visitor.h
  178. include/avogadro/rendering/volumegeometry.h
  179. include/avogadro/rendering/vrmlvisitor.h
  180. @comment include/avogadro/vtk/avogadrovtkexport.h
  181. @comment include/avogadro/vtk/vtkAvogadroActor.h
  182. @comment include/avogadro/vtk/vtkglwidget.h
  183. @comment include/avogadro/vtk/vtkplot.h
  184. lib/avogadro2/libgwavi.a
  185. lib/avogadro2/scripts/charges/antechamber.py
  186. lib/avogadro2/scripts/charges/xtb.py
  187. lib/avogadro2/scripts/energy/ani2x.py
  188. lib/avogadro2/scripts/energy/gaff.py
  189. lib/avogadro2/scripts/energy/gfn1.py
  190. lib/avogadro2/scripts/energy/gfn2.py
  191. lib/avogadro2/scripts/energy/gfnff.py
  192. lib/avogadro2/scripts/energy/mmff94.py
  193. lib/avogadro2/scripts/energy/uff.py
  194. lib/avogadro2/scripts/formatScripts/zyx.py
  195. lib/avogadro2/staticplugins/AlignTool.a
  196. lib/avogadro2/staticplugins/ApplyColors.a
  197. lib/avogadro2/staticplugins/BallStick.a
  198. lib/avogadro2/staticplugins/BondCentric.a
  199. lib/avogadro2/staticplugins/Bonding.a
  200. lib/avogadro2/staticplugins/Cartoons.a
  201. lib/avogadro2/staticplugins/Centroid.a
  202. lib/avogadro2/staticplugins/CloseContacts.a
  203. @comment lib/avogadro2/staticplugins/ColorOpacityMap.a
  204. lib/avogadro2/staticplugins/ConfigurePython.a
  205. lib/avogadro2/staticplugins/CoordinateEditor.a
  206. lib/avogadro2/staticplugins/CopyPaste.a
  207. lib/avogadro2/staticplugins/Cp2kInput.a
  208. lib/avogadro2/staticplugins/Crystal.a
  209. lib/avogadro2/staticplugins/CrystalScene.a
  210. lib/avogadro2/staticplugins/CustomElements.a
  211. lib/avogadro2/staticplugins/Editor.a
  212. lib/avogadro2/staticplugins/FetchPDB.a
  213. lib/avogadro2/staticplugins/Focus.a
  214. lib/avogadro2/staticplugins/Force.a
  215. lib/avogadro2/staticplugins/Forcefield.a
  216. lib/avogadro2/staticplugins/GamessInput.a
  217. lib/avogadro2/staticplugins/Hydrogens.a
  218. lib/avogadro2/staticplugins/ImportPQR.a
  219. lib/avogadro2/staticplugins/InsertFragment.a
  220. lib/avogadro2/staticplugins/Label.a
  221. lib/avogadro2/staticplugins/LabelEditor.a
  222. lib/avogadro2/staticplugins/LammpsInput.a
  223. lib/avogadro2/staticplugins/Licorice.a
  224. lib/avogadro2/staticplugins/LineFormatInput.a
  225. lib/avogadro2/staticplugins/Manipulator.a
  226. lib/avogadro2/staticplugins/MeasureTool.a
  227. lib/avogadro2/staticplugins/Meshes.a
  228. lib/avogadro2/staticplugins/MolecularProperties.a
  229. lib/avogadro2/staticplugins/Navigator.a
  230. lib/avogadro2/staticplugins/NetworkDatabases.a
  231. lib/avogadro2/staticplugins/NonCovalent.a
  232. lib/avogadro2/staticplugins/NucleicInput.a
  233. lib/avogadro2/staticplugins/OpenBabel.a
  234. lib/avogadro2/staticplugins/OpenMMInput.a
  235. lib/avogadro2/staticplugins/OverlayAxes.a
  236. lib/avogadro2/staticplugins/PLY.a
  237. lib/avogadro2/staticplugins/POVRay.a
  238. lib/avogadro2/staticplugins/PlayerTool.a
  239. @comment lib/avogadro2/staticplugins/PlotPdf.a
  240. @comment lib/avogadro2/staticplugins/PlotRmsd.a
  241. @comment lib/avogadro2/staticplugins/PlotXrd.a
  242. lib/avogadro2/staticplugins/PluginDownloader.a
  243. lib/avogadro2/staticplugins/PropertyTables.a
  244. lib/avogadro2/staticplugins/QuantumInput.a
  245. lib/avogadro2/staticplugins/ResetView.a
  246. lib/avogadro2/staticplugins/SVG.a
  247. lib/avogadro2/staticplugins/ScriptCharges.a
  248. lib/avogadro2/staticplugins/ScriptFileFormats.a
  249. lib/avogadro2/staticplugins/Select.a
  250. lib/avogadro2/staticplugins/Selection.a
  251. lib/avogadro2/staticplugins/SpaceGroup.a
  252. lib/avogadro2/staticplugins/Surfaces.a
  253. lib/avogadro2/staticplugins/Symmetry.a
  254. lib/avogadro2/staticplugins/SymmetryScene.a
  255. lib/avogadro2/staticplugins/TemplateTool.a
  256. lib/avogadro2/staticplugins/ThreeDMol.a
  257. lib/avogadro2/staticplugins/VRML.a
  258. lib/avogadro2/staticplugins/VanDerWaals.a
  259. lib/avogadro2/staticplugins/Vibrations.a
  260. lib/avogadro2/staticplugins/Wireframe.a
  261. lib/avogadro2/staticplugins/apbs.a
  262. lib/avogadro2/staticplugins/commands.a
  263. lib/cmake/avogadrolibs/AvogadroLibsConfig.cmake
  264. lib/cmake/avogadrolibs/AvogadroLibsConfigVersion.cmake
  265. lib/cmake/avogadrolibs/AvogadroLibsTargets-release.cmake
  266. lib/cmake/avogadrolibs/AvogadroLibsTargets.cmake
  267. lib/cmake/avogadrolibs/FindEigen3.cmake
  268. lib/cmake/avogadrolibs/Findlibmsym.cmake
  269. lib/libAvogadroCalc.so
  270. lib/libAvogadroCalc.so.1
  271. lib/libAvogadroCalc.so.1.99.0
  272. lib/libAvogadroCore.so
  273. lib/libAvogadroCore.so.1
  274. lib/libAvogadroCore.so.1.99.0
  275. lib/libAvogadroIO.so
  276. lib/libAvogadroIO.so.1
  277. lib/libAvogadroIO.so.1.99.0
  278. lib/libAvogadroMoleQueue.so
  279. lib/libAvogadroMoleQueue.so.1
  280. lib/libAvogadroMoleQueue.so.1.99.0
  281. lib/libAvogadroQtGui.so
  282. lib/libAvogadroQtGui.so.1
  283. lib/libAvogadroQtGui.so.1.99.0
  284. lib/libAvogadroQtOpenGL.so
  285. lib/libAvogadroQtOpenGL.so.1
  286. lib/libAvogadroQtOpenGL.so.1.99.0
  287. lib/libAvogadroQtPlugins.so
  288. lib/libAvogadroQtPlugins.so.1
  289. lib/libAvogadroQtPlugins.so.1.99.0
  290. lib/libAvogadroQuantumIO.so
  291. lib/libAvogadroQuantumIO.so.1
  292. lib/libAvogadroQuantumIO.so.1.99.0
  293. lib/libAvogadroRendering.so
  294. lib/libAvogadroRendering.so.1
  295. lib/libAvogadroRendering.so.1.99.0
  296. @comment lib/libAvogadroVtk.so
  297. @comment lib/libAvogadroVtk.so.1
  298. @comment lib/libAvogadroVtk.so.1.99.0
  299. share/avogadro2/crystals/README.md
  300. share/avogadro2/crystals/antimonides/AlSb.cif
  301. share/avogadro2/crystals/antimonides/GaSb.cif
  302. share/avogadro2/crystals/antimonides/InSb.cif
  303. share/avogadro2/crystals/arsenides/AlAs.cif
  304. share/avogadro2/crystals/arsenides/BAs.cif
  305. share/avogadro2/crystals/arsenides/Co.87Fe.11Ni.13As3-Skutterudite.cif
  306. share/avogadro2/crystals/arsenides/CoAs3-Skutterudite.cif
  307. share/avogadro2/crystals/arsenides/GaAs.cif
  308. share/avogadro2/crystals/arsenides/InAs.cif
  309. share/avogadro2/crystals/arsenides/NiAs-Nickeline.cif
  310. share/avogadro2/crystals/carbides/SiC-2H-Moissanite.cif
  311. share/avogadro2/crystals/carbides/SiC-3C-beta.cif
  312. share/avogadro2/crystals/carbides/SiC-6H-alpha.cif
  313. share/avogadro2/crystals/carbides/SiC-Moissanite.cif
  314. share/avogadro2/crystals/carbides/SiC.cif
  315. share/avogadro2/crystals/carbides/W2C.cif
  316. share/avogadro2/crystals/carbides/WC.cif
  317. share/avogadro2/crystals/carbonates/CaCO3-Calcite.cif
  318. share/avogadro2/crystals/carbonates/CaMgC2O6-Dolomite.cif
  319. share/avogadro2/crystals/carbonates/FeCO3-Siderte.cif
  320. share/avogadro2/crystals/carbonates/Li2CO3-Zabuyelite.cif
  321. share/avogadro2/crystals/carbonates/MgCO3-Magnesite.cif
  322. share/avogadro2/crystals/carbonates/Na2CO3-Natrite.cif
  323. share/avogadro2/crystals/carbonates/NaHCO3-Nahcolite.cif
  324. share/avogadro2/crystals/clays/Al2Si2O9H4-Dickite.cif
  325. share/avogadro2/crystals/clays/Al2Si2O9H4-Kaolinite.cif
  326. share/avogadro2/crystals/clays/Al2Si2O9H4-Nacrite.cif
  327. share/avogadro2/crystals/clays/Al2Si4O12Ca0.5-Montmorillonite.cif
  328. share/avogadro2/crystals/clays/Al4KSi2O12-Illite.cif
  329. share/avogadro2/crystals/clays/AlSi2O6H-Pyrophyllite.cif
  330. share/avogadro2/crystals/clays/Fe2.25Cl0.5H2.75-Fougerite.cif
  331. share/avogadro2/crystals/clays/FeSi2O6H-Nontronite.cif
  332. share/avogadro2/crystals/clays/Lepidolite.cif
  333. share/avogadro2/crystals/clays/Mg2Al2SiO9H4-Amesite.cif
  334. share/avogadro2/crystals/clays/Mg3(O12Si4)H2-Vermiculite.cif
  335. share/avogadro2/crystals/clays/Mg4Si6O22.82H13.64-Sepiolite.cif
  336. share/avogadro2/crystals/clays/Mn1.854Fe1.656Mg0.537Si0.953O9H4-Guidottiite.cif
  337. share/avogadro2/crystals/clays/Zn2SiO5H2-Hemimorphite.cif
  338. share/avogadro2/crystals/elements/Ac-Actinium.cif
  339. share/avogadro2/crystals/elements/Ag-Silver.cif
  340. share/avogadro2/crystals/elements/Al-Aluminum.cif
  341. share/avogadro2/crystals/elements/Am-Americium.cif
  342. share/avogadro2/crystals/elements/Ar-Argon.cif
  343. share/avogadro2/crystals/elements/As-Arsenic.cif
  344. share/avogadro2/crystals/elements/As-Arsenolamprite.cif
  345. share/avogadro2/crystals/elements/Au-Gold.cif
  346. share/avogadro2/crystals/elements/B-Boron.cif
  347. share/avogadro2/crystals/elements/Ba-Barium.cif
  348. share/avogadro2/crystals/elements/Be-Beryllium.cif
  349. share/avogadro2/crystals/elements/Bi-Bismuth.cif
  350. share/avogadro2/crystals/elements/Br-Bromine.cif
  351. share/avogadro2/crystals/elements/C-Diamond.cif
  352. share/avogadro2/crystals/elements/C-Graphite.cif
  353. share/avogadro2/crystals/elements/C-Lonsdaleite.cif
  354. share/avogadro2/crystals/elements/Ca-Calcium-alpha.cif
  355. share/avogadro2/crystals/elements/Ca-Calcium-beta.cif
  356. share/avogadro2/crystals/elements/Ca-Calcium-gamma.cif
  357. share/avogadro2/crystals/elements/Cd-Cadmium.cif
  358. share/avogadro2/crystals/elements/Ce-Cerium.cif
  359. share/avogadro2/crystals/elements/Cl-Chlorine.cif
  360. share/avogadro2/crystals/elements/Co-Cobalt.cif
  361. share/avogadro2/crystals/elements/Cr-Chromium.cif
  362. share/avogadro2/crystals/elements/Cs-Cesium.cif
  363. share/avogadro2/crystals/elements/Cu-Copper.cif
  364. share/avogadro2/crystals/elements/Dy-Dysprosium.cif
  365. share/avogadro2/crystals/elements/Er-Erbium.cif
  366. share/avogadro2/crystals/elements/Eu-Europium.cif
  367. share/avogadro2/crystals/elements/Fe-Iron-alpha.cif
  368. share/avogadro2/crystals/elements/Fe-Iron-beta.cif
  369. share/avogadro2/crystals/elements/Fe-Iron-delta.cif
  370. share/avogadro2/crystals/elements/Fe-Iron-gamma.cif
  371. share/avogadro2/crystals/elements/Ga-Gallium.cif
  372. share/avogadro2/crystals/elements/Gd-Gadolinium.cif
  373. share/avogadro2/crystals/elements/Ge-Germanium.cif
  374. share/avogadro2/crystals/elements/He-Helium.cif
  375. share/avogadro2/crystals/elements/Hf-Hafnium.cif
  376. share/avogadro2/crystals/elements/Ho-Holmium.cif
  377. share/avogadro2/crystals/elements/I-Iodine.cif
  378. share/avogadro2/crystals/elements/In-Indium.cif
  379. share/avogadro2/crystals/elements/Ir-Iridium.cif
  380. share/avogadro2/crystals/elements/K-Potassium.cif
  381. share/avogadro2/crystals/elements/Kr-Krypton.cif
  382. share/avogadro2/crystals/elements/La-Lanthanum.cif
  383. share/avogadro2/crystals/elements/Li-Lithium.cif
  384. share/avogadro2/crystals/elements/Lu-Lutetium.cif
  385. share/avogadro2/crystals/elements/Mg-Magnesium.cif
  386. share/avogadro2/crystals/elements/Mn-Manganese-alpha.cif
  387. share/avogadro2/crystals/elements/Mn-Manganese-delta.cif
  388. share/avogadro2/crystals/elements/Mn-Manganese-gamma.cif
  389. share/avogadro2/crystals/elements/Mo-Molybdenum.cif
  390. share/avogadro2/crystals/elements/N-Nitrogen.cif
  391. share/avogadro2/crystals/elements/Na-Sodium.cif
  392. share/avogadro2/crystals/elements/Nb-Niobium.cif
  393. share/avogadro2/crystals/elements/Nd-Neodymium.cif
  394. share/avogadro2/crystals/elements/Ne-Neon.cif
  395. share/avogadro2/crystals/elements/Ni-Nickel.cif
  396. share/avogadro2/crystals/elements/Np-Neptunium-alpha.cif
  397. share/avogadro2/crystals/elements/Np-Neptunium-beta.cif
  398. share/avogadro2/crystals/elements/Np-Neptunium-gamma.cif
  399. share/avogadro2/crystals/elements/Os-Osmium.cif
  400. share/avogadro2/crystals/elements/P-Phosphorus-black.cif
  401. share/avogadro2/crystals/elements/P-Phosphorus.cif
  402. share/avogadro2/crystals/elements/Pb-Lead.cif
  403. share/avogadro2/crystals/elements/Pd-Palladium.cif
  404. share/avogadro2/crystals/elements/Pr-Praseodymium.cif
  405. share/avogadro2/crystals/elements/Pt-Platinum.cif
  406. share/avogadro2/crystals/elements/Pu-Plutonium-alpha.cif
  407. share/avogadro2/crystals/elements/Pu-Plutonium-epsilon.cif
  408. share/avogadro2/crystals/elements/Pu-Plutonium-gamma.cif
  409. share/avogadro2/crystals/elements/Rb-Rubidium.cif
  410. share/avogadro2/crystals/elements/Re-Rhenium.cif
  411. share/avogadro2/crystals/elements/Rh-Rhodium.cif
  412. share/avogadro2/crystals/elements/Ru-Ruthenium.cif
  413. share/avogadro2/crystals/elements/S6-Sulfur.cif
  414. share/avogadro2/crystals/elements/S8-Sulfur-alpha.cif
  415. share/avogadro2/crystals/elements/S8-Sulfur-beta.cif
  416. share/avogadro2/crystals/elements/S8-Sulfur-gamma.cif
  417. share/avogadro2/crystals/elements/Sb-Antimony.cif
  418. share/avogadro2/crystals/elements/Sc-Scandium.cif
  419. share/avogadro2/crystals/elements/Se-Selenium.cif
  420. share/avogadro2/crystals/elements/Si-Silicon.cif
  421. share/avogadro2/crystals/elements/Sm-Samarium.cif
  422. share/avogadro2/crystals/elements/Sn-Tin-alpha.cif
  423. share/avogadro2/crystals/elements/Sn-Tin-beta.cif
  424. share/avogadro2/crystals/elements/Sr-Strontium.cif
  425. share/avogadro2/crystals/elements/Ta-Tantalum.cif
  426. share/avogadro2/crystals/elements/Tb-Terbium.cif
  427. share/avogadro2/crystals/elements/Te-Tellurium.cif
  428. share/avogadro2/crystals/elements/Th-Thorium.cif
  429. share/avogadro2/crystals/elements/Ti-Titanium-alpha.cif
  430. share/avogadro2/crystals/elements/Ti-Titanium-beta.cif
  431. share/avogadro2/crystals/elements/Tl-Thallium.cif
  432. share/avogadro2/crystals/elements/Tm-Thulium.cif
  433. share/avogadro2/crystals/elements/U-Uranium-alpha.cif
  434. share/avogadro2/crystals/elements/U-Uranium-gamma.cif
  435. share/avogadro2/crystals/elements/V-Vanadium.cif
  436. share/avogadro2/crystals/elements/W-Tungsten.cif
  437. share/avogadro2/crystals/elements/Xe-Xenon.cif
  438. share/avogadro2/crystals/elements/Y-Yttrium.cif
  439. share/avogadro2/crystals/elements/Yb-Ytterbium.cif
  440. share/avogadro2/crystals/elements/Zn-Zinc.cif
  441. share/avogadro2/crystals/elements/Zr-Zirconium.cif
  442. share/avogadro2/crystals/halides/AgBr-Bromargyrite.cif
  443. share/avogadro2/crystals/halides/AgCl-Chlorargyrite.cif
  444. share/avogadro2/crystals/halides/AlCl3.cif
  445. share/avogadro2/crystals/halides/AlNa3F6-Cryolite.cif
  446. share/avogadro2/crystals/halides/CaCl2-Hydrophilite.cif
  447. share/avogadro2/crystals/halides/CaF2-Fluorite.cif
  448. share/avogadro2/crystals/halides/CdCl2.cif
  449. share/avogadro2/crystals/halides/CdI2.cif
  450. share/avogadro2/crystals/halides/CrCl2.cif
  451. share/avogadro2/crystals/halides/CrCl3.cif
  452. share/avogadro2/crystals/halides/CsCl.cif
  453. share/avogadro2/crystals/halides/FeCl3-Molysite.cif
  454. share/avogadro2/crystals/halides/HgCl-Calomel.cif
  455. share/avogadro2/crystals/halides/KBr.cif
  456. share/avogadro2/crystals/halides/KCl-Sylvite.cif
  457. share/avogadro2/crystals/halides/LiCl.cif
  458. share/avogadro2/crystals/halides/NaCl-Halite.cif
  459. share/avogadro2/crystals/halides/PbFCl-Matlockite.cif
  460. share/avogadro2/crystals/hydrides/KH.cif
  461. share/avogadro2/crystals/hydrides/LiH.cif
  462. share/avogadro2/crystals/hydrides/NaH.cif
  463. share/avogadro2/crystals/hydrides/PdH.cif
  464. share/avogadro2/crystals/hydroxides/Ca(OH)2-Portlandite.cif
  465. share/avogadro2/crystals/hydroxides/KOH.cif
  466. share/avogadro2/crystals/hydroxides/LiOH.cif
  467. share/avogadro2/crystals/hydroxides/Mg(OH)2-Brucite.cif
  468. share/avogadro2/crystals/hydroxides/Ni(OH)2-Theophrastite.cif
  469. share/avogadro2/crystals/ice/H2O-Ice-II.cif
  470. share/avogadro2/crystals/ice/H2O-Ice-III.cif
  471. share/avogadro2/crystals/ice/H2O-Ice-IV.cif
  472. share/avogadro2/crystals/ice/H2O-Ice-Ih.cif
  473. share/avogadro2/crystals/ice/H2O-Ice-VI.cif
  474. share/avogadro2/crystals/ice/H2O-Ice-VII.cif
  475. share/avogadro2/crystals/ice/H2O-Ice.cif
  476. share/avogadro2/crystals/intermetallics/(Cu0.5Fe0.5)Pt-Tulameenite.cif
  477. share/avogadro2/crystals/intermetallics/(Ni0.5Fe0.5)Pt-Ferronickelplatinum.cif
  478. share/avogadro2/crystals/intermetallics/Au3Cu-Bogdanovite.cif
  479. share/avogadro2/crystals/intermetallics/AuCu-Tetraauricupride.cif
  480. share/avogadro2/crystals/intermetallics/BiPd-Sobolevskite.cif
  481. share/avogadro2/crystals/intermetallics/CoFe-Wairauite.cif
  482. share/avogadro2/crystals/intermetallics/Cu2MnAl-Heusler.cif
  483. share/avogadro2/crystals/intermetallics/FePt-Tetraferroplatinum.cif
  484. share/avogadro2/crystals/intermetallics/PtBi.cif
  485. share/avogadro2/crystals/nitrides/AlN.cif
  486. share/avogadro2/crystals/nitrides/BN.cif
  487. share/avogadro2/crystals/nitrides/GaN.cif
  488. share/avogadro2/crystals/nitrides/InN.cif
  489. share/avogadro2/crystals/nitrides/Si3N4-beta.cif
  490. share/avogadro2/crystals/nitrides/TiN-Osbornite.cif
  491. share/avogadro2/crystals/other/(NH4)MgPO4-6(H2O)-Struvite.cif
  492. share/avogadro2/crystals/other/C10H10Fe-Ferrocene.cif
  493. share/avogadro2/crystals/other/Ca2C4O10H2.57-Oxalate-Whewellite.cif
  494. share/avogadro2/crystals/other/CaC2O6.375H6-Oxalate-Weddellite.cif
  495. share/avogadro2/crystals/other/FeMnO3-Bixbyite.cif
  496. share/avogadro2/crystals/other/H3N-Ammonia.cif
  497. share/avogadro2/crystals/other/LaAlO3.cif
  498. share/avogadro2/crystals/other/LiNbO3-LithiumNiobate.cif
  499. share/avogadro2/crystals/other/Pb1Ti0.35Zr0.65O3-PZT-cub.cif
  500. share/avogadro2/crystals/other/Pb1Ti0.35Zr0.65O3-PZT-rhomb.cif
  501. share/avogadro2/crystals/other/YBa2Cu3O6.9-YBCO.cif
  502. share/avogadro2/crystals/oxides/(MgAl2)O4-Spinel.cif
  503. share/avogadro2/crystals/oxides/Ag2O.cif
  504. share/avogadro2/crystals/oxides/AgO.cif
  505. share/avogadro2/crystals/oxides/Al2O3-Corundum.cif
  506. share/avogadro2/crystals/oxides/B2O3.cif
  507. share/avogadro2/crystals/oxides/B6O.cif
  508. share/avogadro2/crystals/oxides/BaO.cif
  509. share/avogadro2/crystals/oxides/CaO-Lime.cif
  510. share/avogadro2/crystals/oxides/CdO-Monteponite.cif
  511. share/avogadro2/crystals/oxides/CeO2-Cerianite.cif
  512. share/avogadro2/crystals/oxides/CoFe2O4.cif
  513. share/avogadro2/crystals/oxides/CoO.cif
  514. share/avogadro2/crystals/oxides/Cr2O3-Eskolaite.cif
  515. share/avogadro2/crystals/oxides/Cu2O-Cuprite.cif
  516. share/avogadro2/crystals/oxides/CuO-Tenorite.cif
  517. share/avogadro2/crystals/oxides/Fe2O3-Hematite.cif
  518. share/avogadro2/crystals/oxides/Fe3O4-Magnetite.cif
  519. share/avogadro2/crystals/oxides/FeO-Wustite.cif
  520. share/avogadro2/crystals/oxides/GeO2-Argutite-tetrag.cif
  521. share/avogadro2/crystals/oxides/GeO2-Argutite.cif
  522. share/avogadro2/crystals/oxides/GeO2.cif
  523. share/avogadro2/crystals/oxides/HfO2.cif
  524. share/avogadro2/crystals/oxides/In2O3-IndiumOxide.cif
  525. share/avogadro2/crystals/oxides/In2O3.cif
  526. share/avogadro2/crystals/oxides/IrO2.cif
  527. share/avogadro2/crystals/oxides/K2O.cif
  528. share/avogadro2/crystals/oxides/La2O3-LanthanumOxide-A.cif
  529. share/avogadro2/crystals/oxides/Li2O.cif
  530. share/avogadro2/crystals/oxides/MgO-Periclase.cif
  531. share/avogadro2/crystals/oxides/MnO-Manganosite.cif
  532. share/avogadro2/crystals/oxides/MnO2-Pyrolusite.cif
  533. share/avogadro2/crystals/oxides/MoO2-Tugarinovite.cif
  534. share/avogadro2/crystals/oxides/MoO3-Molybdite.cif
  535. share/avogadro2/crystals/oxides/Na2O.cif
  536. share/avogadro2/crystals/oxides/NbO.cif
  537. share/avogadro2/crystals/oxides/NbO2.cif
  538. share/avogadro2/crystals/oxides/NiFe2O4.cif
  539. share/avogadro2/crystals/oxides/NiO-Bunsenite.cif
  540. share/avogadro2/crystals/oxides/PbO.cif
  541. share/avogadro2/crystals/oxides/PbO2-Scrutinyite.cif
  542. share/avogadro2/crystals/oxides/PdO.cif
  543. share/avogadro2/crystals/oxides/PtO2-beta.cif
  544. share/avogadro2/crystals/oxides/Rb2O.cif
  545. share/avogadro2/crystals/oxides/Rh2O3.cif
  546. share/avogadro2/crystals/oxides/RuO2.cif
  547. share/avogadro2/crystals/oxides/Sc2O3.cif
  548. share/avogadro2/crystals/oxides/SiO2-Coesite.cif
  549. share/avogadro2/crystals/oxides/SiO2-Cristobalite.cif
  550. share/avogadro2/crystals/oxides/SiO2-Quartz-alpha.cif
  551. share/avogadro2/crystals/oxides/SiO2-Quartz-beta.cif
  552. share/avogadro2/crystals/oxides/SiO2-Stishovite.cif
  553. share/avogadro2/crystals/oxides/SmO.cif
  554. share/avogadro2/crystals/oxides/SnO.cif
  555. share/avogadro2/crystals/oxides/SnO2-Cassiterite.cif
  556. share/avogadro2/crystals/oxides/SrO.cif
  557. share/avogadro2/crystals/oxides/TaO.cif
  558. share/avogadro2/crystals/oxides/TiO2-Anatase.cif
  559. share/avogadro2/crystals/oxides/TiO2-Brookite.cif
  560. share/avogadro2/crystals/oxides/TiO2-Rutile.cif
  561. share/avogadro2/crystals/oxides/UO.cif
  562. share/avogadro2/crystals/oxides/UO2-Uraninite.cif
  563. share/avogadro2/crystals/oxides/V2O3-Karelianite.cif
  564. share/avogadro2/crystals/oxides/V2O5-Shcherbinaite.cif
  565. share/avogadro2/crystals/oxides/VO.cif
  566. share/avogadro2/crystals/oxides/VO2.cif
  567. share/avogadro2/crystals/oxides/WO2.cif
  568. share/avogadro2/crystals/oxides/Y2O3.cif
  569. share/avogadro2/crystals/oxides/YbO.cif
  570. share/avogadro2/crystals/oxides/ZnO-Zincite.cif
  571. share/avogadro2/crystals/oxides/ZrO.cif
  572. share/avogadro2/crystals/oxides/ZrO2-Cubic.cif
  573. share/avogadro2/crystals/phosphides/AlP.cif
  574. share/avogadro2/crystals/phosphides/BP.cif
  575. share/avogadro2/crystals/phosphides/GaP.cif
  576. share/avogadro2/crystals/phosphides/InP.cif
  577. share/avogadro2/crystals/plugin.json
  578. share/avogadro2/crystals/selenides/Bi2Se3.cif
  579. share/avogadro2/crystals/selenides/BiSe.cif
  580. share/avogadro2/crystals/selenides/CdSe-Cadmoselite.cif
  581. share/avogadro2/crystals/selenides/HgSe-Tiemannite.cif
  582. share/avogadro2/crystals/selenides/PbSe-Clausthalite.cif
  583. share/avogadro2/crystals/selenides/Sb2Se3-Antimonselite.cif
  584. share/avogadro2/crystals/selenides/ZnSe.cif
  585. share/avogadro2/crystals/silicates/Be3Al2(SiO3)6-Beryl.cif
  586. share/avogadro2/crystals/sulfates/BaSO4-Barite.cif
  587. share/avogadro2/crystals/sulfates/CaSO4-2(H2O)-Gypsum.cif
  588. share/avogadro2/crystals/sulfates/CaSO4-Anhydrite.cif
  589. share/avogadro2/crystals/sulfates/CoSO4.cif
  590. share/avogadro2/crystals/sulfates/CuSO4.cif
  591. share/avogadro2/crystals/sulfates/H4SO5.cif
  592. share/avogadro2/crystals/sulfates/MgSO4.cif
  593. share/avogadro2/crystals/sulfates/Na2SO4.cif
  594. share/avogadro2/crystals/sulfates/PbSO4-Anglesite.cif
  595. share/avogadro2/crystals/sulfates/SrSO4-Celestine.cif
  596. share/avogadro2/crystals/sulfides/Bi2S3-Bismuthinite.cif
  597. share/avogadro2/crystals/sulfides/CdS-Greenockite.cif
  598. share/avogadro2/crystals/sulfides/CdS-Hawleyite.cif
  599. share/avogadro2/crystals/sulfides/FeS.cif
  600. share/avogadro2/crystals/sulfides/FeS2-Pyrite.cif
  601. share/avogadro2/crystals/sulfides/HgS-Metacinnabar.cif
  602. share/avogadro2/crystals/sulfides/PbS-Galena.cif
  603. share/avogadro2/crystals/sulfides/Sb2S3-Stibnite.cif
  604. share/avogadro2/crystals/sulfides/SnS-Herzenbergite.cif
  605. share/avogadro2/crystals/sulfides/ZnS-Sphalerite.cif
  606. share/avogadro2/crystals/sulfides/ZnS-Wurtzite-2H.cif
  607. share/avogadro2/crystals/sulfides/ZnS-Zincblende.cif
  608. share/avogadro2/crystals/telurides/Bi2Te3.cif
  609. share/avogadro2/crystals/telurides/BiTe.cif
  610. share/avogadro2/crystals/telurides/CdTe.cif
  611. share/avogadro2/crystals/telurides/PbTe-Altaite.cif
  612. share/avogadro2/crystals/telurides/ZnTe.cif
  613. share/avogadro2/crystals/titanates/BaTiO3.cif
  614. share/avogadro2/crystals/titanates/CaTiO3-Perovskite.cif
  615. share/avogadro2/crystals/titanates/Mg2TiO4-Qandilite-cubic.cif
  616. share/avogadro2/crystals/titanates/Mg2TiO4-Qandilite-tetrag.cif
  617. share/avogadro2/crystals/titanates/MgTiO3.cif
  618. share/avogadro2/crystals/titanates/PbZr0.1Ti0.9O3.cif
  619. share/avogadro2/crystals/titanates/SrTiO3-Tausonite.cif
  620. share/avogadro2/crystals/zeolites/ABW.cif
  621. share/avogadro2/crystals/zeolites/ACO.cif
  622. share/avogadro2/crystals/zeolites/AEI.cif
  623. share/avogadro2/crystals/zeolites/AEL.cif
  624. share/avogadro2/crystals/zeolites/AEN.cif
  625. share/avogadro2/crystals/zeolites/AET.cif
  626. share/avogadro2/crystals/zeolites/AFG.cif
  627. share/avogadro2/crystals/zeolites/AFI.cif
  628. share/avogadro2/crystals/zeolites/AFN.cif
  629. share/avogadro2/crystals/zeolites/AFO.cif
  630. share/avogadro2/crystals/zeolites/AFR.cif
  631. share/avogadro2/crystals/zeolites/AFS.cif
  632. share/avogadro2/crystals/zeolites/AFT.cif
  633. share/avogadro2/crystals/zeolites/AFX.cif
  634. share/avogadro2/crystals/zeolites/AFY.cif
  635. share/avogadro2/crystals/zeolites/AHT.cif
  636. share/avogadro2/crystals/zeolites/ANA.cif
  637. share/avogadro2/crystals/zeolites/APC.cif
  638. share/avogadro2/crystals/zeolites/APD.cif
  639. share/avogadro2/crystals/zeolites/AST.cif
  640. share/avogadro2/crystals/zeolites/ASV.cif
  641. share/avogadro2/crystals/zeolites/ATN.cif
  642. share/avogadro2/crystals/zeolites/ATO.cif
  643. share/avogadro2/crystals/zeolites/ATS.cif
  644. share/avogadro2/crystals/zeolites/ATT.cif
  645. share/avogadro2/crystals/zeolites/ATV.cif
  646. share/avogadro2/crystals/zeolites/AWO.cif
  647. share/avogadro2/crystals/zeolites/AWW.cif
  648. share/avogadro2/crystals/zeolites/BCT.cif
  649. share/avogadro2/crystals/zeolites/BEA.cif
  650. share/avogadro2/crystals/zeolites/BEC.cif
  651. share/avogadro2/crystals/zeolites/BIK.cif
  652. share/avogadro2/crystals/zeolites/BOF.cif
  653. share/avogadro2/crystals/zeolites/BOG.cif
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  818. share/avogadro2/fragments/.gitignore
  819. share/avogadro2/fragments/LICENSE
  820. share/avogadro2/fragments/README.md
  821. share/avogadro2/fragments/amino/ACE.zmat
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  823. share/avogadro2/fragments/amino/ALA.zmat
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  829. share/avogadro2/fragments/amino/GLU.zmat
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  961. share/avogadro2/fragments/groups/aromatics/pentacene.cjson
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  965. share/avogadro2/fragments/groups/aromatics/phenalene.cjson
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  973. share/avogadro2/fragments/groups/aromatics/tetracene.cjson
  974. share/avogadro2/fragments/groups/aromatics/tetracene.png
  975. share/avogadro2/fragments/groups/aromatics/trityl.cjson
  976. share/avogadro2/fragments/groups/aromatics/trityl.png
  977. share/avogadro2/fragments/groups/bicyclics/adamantyl.cjson
  978. share/avogadro2/fragments/groups/bicyclics/adamantyl.png
  979. share/avogadro2/fragments/groups/bicyclics/groups.smi
  980. share/avogadro2/fragments/groups/bicyclics/norbornyl.cjson
  981. share/avogadro2/fragments/groups/bicyclics/norbornyl.png
  982. share/avogadro2/fragments/groups/boron/borinic_acid.cjson
  983. share/avogadro2/fragments/groups/boron/borinic_acid.png
  984. share/avogadro2/fragments/groups/boron/borinic_ester.cjson
  985. share/avogadro2/fragments/groups/boron/borinic_ester.png
  986. share/avogadro2/fragments/groups/boron/boronic_acid.cjson
  987. share/avogadro2/fragments/groups/boron/boronic_acid.png
  988. share/avogadro2/fragments/groups/boron/boronic_ester.cjson
  989. share/avogadro2/fragments/groups/boron/boronic_ester.png
  990. share/avogadro2/fragments/groups/boron/groups.smi
  991. share/avogadro2/fragments/groups/cycloalkanes/cyclobutane.cjson
  992. share/avogadro2/fragments/groups/cycloalkanes/cyclobutane.png
  993. share/avogadro2/fragments/groups/cycloalkanes/cyclodecane.cjson
  994. share/avogadro2/fragments/groups/cycloalkanes/cyclodecane.png
  995. share/avogadro2/fragments/groups/cycloalkanes/cycloheptane.cjson
  996. share/avogadro2/fragments/groups/cycloalkanes/cycloheptane.png
  997. share/avogadro2/fragments/groups/cycloalkanes/cyclohexane.cjson
  998. share/avogadro2/fragments/groups/cycloalkanes/cyclohexane.png
  999. share/avogadro2/fragments/groups/cycloalkanes/cyclononane.cjson
  1000. share/avogadro2/fragments/groups/cycloalkanes/cyclononane.png
  1001. share/avogadro2/fragments/groups/cycloalkanes/cyclooctane.cjson
  1002. share/avogadro2/fragments/groups/cycloalkanes/cyclooctane.png
  1003. share/avogadro2/fragments/groups/cycloalkanes/cyclopentane.cjson
  1004. share/avogadro2/fragments/groups/cycloalkanes/cyclopentane.png
  1005. share/avogadro2/fragments/groups/cycloalkanes/cyclopropane.cjson
  1006. share/avogadro2/fragments/groups/cycloalkanes/cyclopropane.png
  1007. share/avogadro2/fragments/groups/cycloalkanes/groups.smi
  1008. share/avogadro2/fragments/groups/heteroaromatics/1,3,4-thiadiazole.cjson
  1009. share/avogadro2/fragments/groups/heteroaromatics/1,3,4-thiadiazole.png
  1010. share/avogadro2/fragments/groups/heteroaromatics/carbazole.cjson
  1011. share/avogadro2/fragments/groups/heteroaromatics/carbazole.png
  1012. share/avogadro2/fragments/groups/heteroaromatics/furan.cjson
  1013. share/avogadro2/fragments/groups/heteroaromatics/furan.png
  1014. share/avogadro2/fragments/groups/heteroaromatics/groups.smi
  1015. share/avogadro2/fragments/groups/heteroaromatics/imidazole.cjson
  1016. share/avogadro2/fragments/groups/heteroaromatics/imidazole.png
  1017. share/avogadro2/fragments/groups/heteroaromatics/oxazole.cjson
  1018. share/avogadro2/fragments/groups/heteroaromatics/oxazole.png
  1019. share/avogadro2/fragments/groups/heteroaromatics/pyrazine.cjson
  1020. share/avogadro2/fragments/groups/heteroaromatics/pyrazine.png
  1021. share/avogadro2/fragments/groups/heteroaromatics/pyridine.cjson
  1022. share/avogadro2/fragments/groups/heteroaromatics/pyridine.png
  1023. share/avogadro2/fragments/groups/heteroaromatics/pyrimidine.cjson
  1024. share/avogadro2/fragments/groups/heteroaromatics/pyrimidine.png
  1025. share/avogadro2/fragments/groups/heteroaromatics/pyrrole.cjson
  1026. share/avogadro2/fragments/groups/heteroaromatics/pyrrole.png
  1027. share/avogadro2/fragments/groups/heteroaromatics/thiazole.cjson
  1028. share/avogadro2/fragments/groups/heteroaromatics/thiazole.png
  1029. share/avogadro2/fragments/groups/heteroaromatics/thiophene.cjson
  1030. share/avogadro2/fragments/groups/heteroaromatics/thiophene.png
  1031. share/avogadro2/fragments/groups/nitrogen/acetamide.cjson
  1032. share/avogadro2/fragments/groups/nitrogen/acetamide.png
  1033. share/avogadro2/fragments/groups/nitrogen/amide.cjson
  1034. share/avogadro2/fragments/groups/nitrogen/amide.png
  1035. share/avogadro2/fragments/groups/nitrogen/amidine.cjson
  1036. share/avogadro2/fragments/groups/nitrogen/amidine.png
  1037. share/avogadro2/fragments/groups/nitrogen/azide.cjson
  1038. share/avogadro2/fragments/groups/nitrogen/azide.png
  1039. share/avogadro2/fragments/groups/nitrogen/azo.cjson
  1040. share/avogadro2/fragments/groups/nitrogen/azo.png
  1041. share/avogadro2/fragments/groups/nitrogen/carbamate.cjson
  1042. share/avogadro2/fragments/groups/nitrogen/carbamate.png
  1043. share/avogadro2/fragments/groups/nitrogen/cyanate.cjson
  1044. share/avogadro2/fragments/groups/nitrogen/cyanate.png
  1045. share/avogadro2/fragments/groups/nitrogen/dithiocarbamate.cjson
  1046. share/avogadro2/fragments/groups/nitrogen/dithiocarbamate.png
  1047. share/avogadro2/fragments/groups/nitrogen/formimidamide.cjson
  1048. share/avogadro2/fragments/groups/nitrogen/formimidamide.png
  1049. share/avogadro2/fragments/groups/nitrogen/groups.smi
  1050. share/avogadro2/fragments/groups/nitrogen/guanidine.cjson
  1051. share/avogadro2/fragments/groups/nitrogen/guanidine.png
  1052. share/avogadro2/fragments/groups/nitrogen/hydrazine.cjson
  1053. share/avogadro2/fragments/groups/nitrogen/hydrazine.png
  1054. share/avogadro2/fragments/groups/nitrogen/hydroxamic_acid.cjson
  1055. share/avogadro2/fragments/groups/nitrogen/hydroxamic_acid.png
  1056. share/avogadro2/fragments/groups/nitrogen/imide.cjson
  1057. share/avogadro2/fragments/groups/nitrogen/imide.png
  1058. share/avogadro2/fragments/groups/nitrogen/imine.cjson
  1059. share/avogadro2/fragments/groups/nitrogen/imine.png
  1060. share/avogadro2/fragments/groups/nitrogen/iminocarbamate.cjson
  1061. share/avogadro2/fragments/groups/nitrogen/iminocarbamate.png
  1062. share/avogadro2/fragments/groups/nitrogen/isocyanate.cjson
  1063. share/avogadro2/fragments/groups/nitrogen/isocyanate.png
  1064. share/avogadro2/fragments/groups/nitrogen/isocyano.cjson
  1065. share/avogadro2/fragments/groups/nitrogen/isocyano.png
  1066. share/avogadro2/fragments/groups/nitrogen/nitrate.cjson
  1067. share/avogadro2/fragments/groups/nitrogen/nitrate.png
  1068. share/avogadro2/fragments/groups/nitrogen/nitrile.cjson
  1069. share/avogadro2/fragments/groups/nitrogen/nitrile.png
  1070. share/avogadro2/fragments/groups/nitrogen/nitrite.cjson
  1071. share/avogadro2/fragments/groups/nitrogen/nitrite.png
  1072. share/avogadro2/fragments/groups/nitrogen/nitro.cjson
  1073. share/avogadro2/fragments/groups/nitrogen/nitro.png
  1074. share/avogadro2/fragments/groups/nitrogen/nitrosamine.cjson
  1075. share/avogadro2/fragments/groups/nitrogen/nitrosamine.png
  1076. share/avogadro2/fragments/groups/nitrogen/nitroso.cjson
  1077. share/avogadro2/fragments/groups/nitrogen/nitroso.png
  1078. share/avogadro2/fragments/groups/nitrogen/oxime.cjson
  1079. share/avogadro2/fragments/groups/nitrogen/oxime.png
  1080. share/avogadro2/fragments/groups/nitrogen/oxopropanamide.cjson
  1081. share/avogadro2/fragments/groups/nitrogen/oxopropanamide.png
  1082. share/avogadro2/fragments/groups/nitrogen/urea.cjson
  1083. share/avogadro2/fragments/groups/nitrogen/urea.png
  1084. share/avogadro2/fragments/groups/oxygen/acid_chloride.cjson
  1085. share/avogadro2/fragments/groups/oxygen/acid_chloride.png
  1086. share/avogadro2/fragments/groups/oxygen/aldehyde.cjson
  1087. share/avogadro2/fragments/groups/oxygen/aldehyde.png
  1088. share/avogadro2/fragments/groups/oxygen/amide.cjson
  1089. share/avogadro2/fragments/groups/oxygen/amide.png
  1090. share/avogadro2/fragments/groups/oxygen/anhydride.cjson
  1091. share/avogadro2/fragments/groups/oxygen/anhydride.png
  1092. share/avogadro2/fragments/groups/oxygen/carbonate.cjson
  1093. share/avogadro2/fragments/groups/oxygen/carbonate.png
  1094. share/avogadro2/fragments/groups/oxygen/carboxylate.cjson
  1095. share/avogadro2/fragments/groups/oxygen/carboxylate.png
  1096. share/avogadro2/fragments/groups/oxygen/epoxide.cjson
  1097. share/avogadro2/fragments/groups/oxygen/epoxide.png
  1098. share/avogadro2/fragments/groups/oxygen/ester.cjson
  1099. share/avogadro2/fragments/groups/oxygen/ester.png
  1100. share/avogadro2/fragments/groups/oxygen/ether.cjson
  1101. share/avogadro2/fragments/groups/oxygen/ether.png
  1102. share/avogadro2/fragments/groups/oxygen/groups.smi
  1103. share/avogadro2/fragments/groups/oxygen/ketene.cjson
  1104. share/avogadro2/fragments/groups/oxygen/ketene.png
  1105. share/avogadro2/fragments/groups/oxygen/ketone.cjson
  1106. share/avogadro2/fragments/groups/oxygen/ketone.png
  1107. share/avogadro2/fragments/groups/oxygen/peroxide.cjson
  1108. share/avogadro2/fragments/groups/oxygen/peroxide.png
  1109. share/avogadro2/fragments/groups/oxygen/ynone.cjson
  1110. share/avogadro2/fragments/groups/oxygen/ynone.png
  1111. share/avogadro2/fragments/groups/phosphorus/groups.smi
  1112. share/avogadro2/fragments/groups/phosphorus/phosphate.cjson
  1113. share/avogadro2/fragments/groups/phosphorus/phosphate.png
  1114. share/avogadro2/fragments/groups/phosphorus/phosphine.cjson
  1115. share/avogadro2/fragments/groups/phosphorus/phosphine.png
  1116. share/avogadro2/fragments/groups/phosphorus/phosphite.cjson
  1117. share/avogadro2/fragments/groups/phosphorus/phosphite.png
  1118. share/avogadro2/fragments/groups/phosphorus/phosphonate.cjson
  1119. share/avogadro2/fragments/groups/phosphorus/phosphonate.png
  1120. share/avogadro2/fragments/groups/phosphorus/phosphorothiolate.cjson
  1121. share/avogadro2/fragments/groups/phosphorus/phosphorothiolate.png
  1122. share/avogadro2/fragments/groups/sulfur/carbothioic_O-acid.cjson
  1123. share/avogadro2/fragments/groups/sulfur/carbothioic_O-acid.png
  1124. share/avogadro2/fragments/groups/sulfur/carbothioic_S-acid.cjson
  1125. share/avogadro2/fragments/groups/sulfur/carbothioic_S-acid.png
  1126. share/avogadro2/fragments/groups/sulfur/disulfide.cjson
  1127. share/avogadro2/fragments/groups/sulfur/disulfide.png
  1128. share/avogadro2/fragments/groups/sulfur/dithiocarbamate.cjson
  1129. share/avogadro2/fragments/groups/sulfur/dithiocarbamate.png
  1130. share/avogadro2/fragments/groups/sulfur/dithiocarboxylic_acid.cjson
  1131. share/avogadro2/fragments/groups/sulfur/dithiocarboxylic_acid.png
  1132. share/avogadro2/fragments/groups/sulfur/episulfide.cjson
  1133. share/avogadro2/fragments/groups/sulfur/episulfide.png
  1134. share/avogadro2/fragments/groups/sulfur/groups.smi
  1135. share/avogadro2/fragments/groups/sulfur/isothiocyanate.cjson
  1136. share/avogadro2/fragments/groups/sulfur/isothiocyanate.png
  1137. share/avogadro2/fragments/groups/sulfur/sulfide.cjson
  1138. share/avogadro2/fragments/groups/sulfur/sulfide.png
  1139. share/avogadro2/fragments/groups/sulfur/sulfine.cjson
  1140. share/avogadro2/fragments/groups/sulfur/sulfine.png
  1141. share/avogadro2/fragments/groups/sulfur/sulfinic_acid.cjson
  1142. share/avogadro2/fragments/groups/sulfur/sulfinic_acid.png
  1143. share/avogadro2/fragments/groups/sulfur/sulfonamide.cjson
  1144. share/avogadro2/fragments/groups/sulfur/sulfonamide.png
  1145. share/avogadro2/fragments/groups/sulfur/sulfonate.cjson
  1146. share/avogadro2/fragments/groups/sulfur/sulfonate.png
  1147. share/avogadro2/fragments/groups/sulfur/sulfonyl.cjson
  1148. share/avogadro2/fragments/groups/sulfur/sulfonyl.png
  1149. share/avogadro2/fragments/groups/sulfur/sulfonyl_acetamide.cjson
  1150. share/avogadro2/fragments/groups/sulfur/sulfonyl_acetamide.png
  1151. share/avogadro2/fragments/groups/sulfur/sulfoxide.cjson
  1152. share/avogadro2/fragments/groups/sulfur/sulfoxide.png
  1153. share/avogadro2/fragments/groups/sulfur/thial.cjson
  1154. share/avogadro2/fragments/groups/sulfur/thial.png
  1155. share/avogadro2/fragments/groups/sulfur/thiocyanate.cjson
  1156. share/avogadro2/fragments/groups/sulfur/thiocyanate.png
  1157. share/avogadro2/fragments/groups/sulfur/thioketone.cjson
  1158. share/avogadro2/fragments/groups/sulfur/thioketone.png
  1159. share/avogadro2/fragments/groups/sulfur/thiol.cjson
  1160. share/avogadro2/fragments/groups/sulfur/thiol.png
  1161. share/avogadro2/fragments/groups/sulfur/thiolester.cjson
  1162. share/avogadro2/fragments/groups/sulfur/thiolester.png
  1163. share/avogadro2/fragments/groups/sulfur/thionester.cjson
  1164. share/avogadro2/fragments/groups/sulfur/thionester.png
  1165. share/avogadro2/fragments/groups/sulfur/tosyl.cjson
  1166. share/avogadro2/fragments/groups/sulfur/tosyl.png
  1167. share/avogadro2/fragments/ligands/bidentate/acac-acetylacetonate.cjson
  1168. share/avogadro2/fragments/ligands/bidentate/acac-acetylacetonate.png
  1169. share/avogadro2/fragments/ligands/bidentate/bpy-bipyridine.cjson
  1170. share/avogadro2/fragments/ligands/bidentate/bpy-bipyridine.png
  1171. share/avogadro2/fragments/ligands/bidentate/dithiolene.cjson
  1172. share/avogadro2/fragments/ligands/bidentate/dithiolene.png
  1173. share/avogadro2/fragments/ligands/bidentate/dmpe-1,2-bis(dimethylphosphino)ethane.png
  1174. share/avogadro2/fragments/ligands/bidentate/dppe-1,2-bis(diphenylphosphino)ethane.cjson
  1175. share/avogadro2/fragments/ligands/bidentate/dppe-1,2-bis(diphenylphosphino)ethane.png
  1176. share/avogadro2/fragments/ligands/bidentate/en-ethylenediamine.cjson
  1177. share/avogadro2/fragments/ligands/bidentate/en-ethylenediamine.png
  1178. share/avogadro2/fragments/ligands/bidentate/groups.smi
  1179. share/avogadro2/fragments/ligands/bidentate/oxalate.cjson
  1180. share/avogadro2/fragments/ligands/bidentate/oxalate.png
  1181. share/avogadro2/fragments/ligands/bidentate/phenanthroline.cjson
  1182. share/avogadro2/fragments/ligands/bidentate/phenanthroline.png
  1183. share/avogadro2/fragments/ligands/bidentate/tmeda-tetramethylethylenediamine.cjson
  1184. share/avogadro2/fragments/ligands/bidentate/tmeda-tetramethylethylenediamine.png
  1185. share/avogadro2/fragments/ligands/haptic/eta2-acetylene.cjson
  1186. share/avogadro2/fragments/ligands/haptic/eta2-acetylene.png
  1187. share/avogadro2/fragments/ligands/haptic/eta2-ethylene.cjson
  1188. share/avogadro2/fragments/ligands/haptic/eta2-ethylene.png
  1189. share/avogadro2/fragments/ligands/haptic/eta3-alyl.cjson
  1190. share/avogadro2/fragments/ligands/haptic/eta3-alyl.png
  1191. share/avogadro2/fragments/ligands/haptic/eta3-cyclopentyl.cjson
  1192. share/avogadro2/fragments/ligands/haptic/eta3-cyclopentyl.png
  1193. share/avogadro2/fragments/ligands/haptic/eta3-cyclopropyl.cjson
  1194. share/avogadro2/fragments/ligands/haptic/eta3-cyclopropyl.png
  1195. share/avogadro2/fragments/ligands/haptic/eta3-indenyl.cjson
  1196. share/avogadro2/fragments/ligands/haptic/eta3-indenyl.png
  1197. share/avogadro2/fragments/ligands/haptic/eta4-butadiene.cjson
  1198. share/avogadro2/fragments/ligands/haptic/eta4-butadiene.png
  1199. share/avogadro2/fragments/ligands/haptic/eta4-cyclo-octadiene.cjson
  1200. share/avogadro2/fragments/ligands/haptic/eta4-cyclo-octadiene.png
  1201. share/avogadro2/fragments/ligands/haptic/eta4-cyclobutyl.cjson
  1202. share/avogadro2/fragments/ligands/haptic/eta4-cyclobutyl.png
  1203. share/avogadro2/fragments/ligands/haptic/eta4-cyclopentyl.cjson
  1204. share/avogadro2/fragments/ligands/haptic/eta4-cyclopentyl.png
  1205. share/avogadro2/fragments/ligands/haptic/eta5-Cp-cyclopentyl.cjson
  1206. share/avogadro2/fragments/ligands/haptic/eta5-Cp-cyclopentyl.png
  1207. share/avogadro2/fragments/ligands/haptic/eta5-fluorenyl.cjson
  1208. share/avogadro2/fragments/ligands/haptic/eta5-fluorenyl.png
  1209. share/avogadro2/fragments/ligands/haptic/eta5-indenyl.cjson
  1210. share/avogadro2/fragments/ligands/haptic/eta5-indenyl.png
  1211. share/avogadro2/fragments/ligands/haptic/eta6-benzene.cjson
  1212. share/avogadro2/fragments/ligands/haptic/eta6-benzene.png
  1213. share/avogadro2/fragments/ligands/haptic/eta7-cycloheptyl.cjson
  1214. share/avogadro2/fragments/ligands/haptic/eta7-cycloheptyl.png
  1215. share/avogadro2/fragments/ligands/haptic/eta8-cyclooctyl.cjson
  1216. share/avogadro2/fragments/ligands/haptic/eta8-cyclooctyl.png
  1217. share/avogadro2/fragments/ligands/hexadentate/edta.cjson
  1218. share/avogadro2/fragments/ligands/hexadentate/edta.png
  1219. share/avogadro2/fragments/ligands/hexadentate/groups.smi
  1220. share/avogadro2/fragments/ligands/monodentate/ammine.cjson
  1221. share/avogadro2/fragments/ligands/monodentate/ammine.png
  1222. share/avogadro2/fragments/ligands/monodentate/aqua.cjson
  1223. share/avogadro2/fragments/ligands/monodentate/aqua.png
  1224. share/avogadro2/fragments/ligands/monodentate/azido.cjson
  1225. share/avogadro2/fragments/ligands/monodentate/azido.png
  1226. share/avogadro2/fragments/ligands/monodentate/carbonyl.cjson
  1227. share/avogadro2/fragments/ligands/monodentate/carbonyl.png
  1228. share/avogadro2/fragments/ligands/monodentate/cyano.cjson
  1229. share/avogadro2/fragments/ligands/monodentate/cyano.png
  1230. share/avogadro2/fragments/ligands/monodentate/ethyl.cjson
  1231. share/avogadro2/fragments/ligands/monodentate/ethyl.png
  1232. share/avogadro2/fragments/ligands/monodentate/groups.smi
  1233. share/avogadro2/fragments/ligands/monodentate/isocyano.cjson
  1234. share/avogadro2/fragments/ligands/monodentate/isocyano.png
  1235. share/avogadro2/fragments/ligands/monodentate/isopropyl.cjson
  1236. share/avogadro2/fragments/ligands/monodentate/isopropyl.png
  1237. share/avogadro2/fragments/ligands/monodentate/methyl.cjson
  1238. share/avogadro2/fragments/ligands/monodentate/methyl.png
  1239. share/avogadro2/fragments/ligands/monodentate/nitro.cjson
  1240. share/avogadro2/fragments/ligands/monodentate/nitro.png
  1241. share/avogadro2/fragments/ligands/monodentate/nitrosyl.cjson
  1242. share/avogadro2/fragments/ligands/monodentate/nitrosyl.png
  1243. share/avogadro2/fragments/ligands/monodentate/phosphine.cjson
  1244. share/avogadro2/fragments/ligands/monodentate/phosphine.png
  1245. share/avogadro2/fragments/ligands/monodentate/propyl.cjson
  1246. share/avogadro2/fragments/ligands/monodentate/propyl.png
  1247. share/avogadro2/fragments/ligands/monodentate/pyridyl.cjson
  1248. share/avogadro2/fragments/ligands/monodentate/pyridyl.png
  1249. share/avogadro2/fragments/ligands/monodentate/simes.cjson
  1250. share/avogadro2/fragments/ligands/monodentate/simes.png
  1251. share/avogadro2/fragments/ligands/monodentate/t-butyl.cjson
  1252. share/avogadro2/fragments/ligands/monodentate/t-butyl.png
  1253. share/avogadro2/fragments/ligands/monodentate/thiocyanato-N.cjson
  1254. share/avogadro2/fragments/ligands/monodentate/thiocyanato-N.png
  1255. share/avogadro2/fragments/ligands/monodentate/thiocyano.cjson
  1256. share/avogadro2/fragments/ligands/monodentate/thiocyano.png
  1257. share/avogadro2/fragments/ligands/monodentate/thiol.cjson
  1258. share/avogadro2/fragments/ligands/monodentate/thiol.png
  1259. share/avogadro2/fragments/ligands/monodentate/trimethylammonium.cjson
  1260. share/avogadro2/fragments/ligands/monodentate/trimethylammonium.png
  1261. share/avogadro2/fragments/ligands/monodentate/trimethylphosphine.cjson
  1262. share/avogadro2/fragments/ligands/monodentate/trimethylphosphine.png
  1263. share/avogadro2/fragments/ligands/monodentate/triphenylphosphine.cjson
  1264. share/avogadro2/fragments/ligands/monodentate/triphenylphosphine.png
  1265. share/avogadro2/fragments/ligands/tetradentate/12-crown-4.cjson
  1266. share/avogadro2/fragments/ligands/tetradentate/12-crown-4.png
  1267. share/avogadro2/fragments/ligands/tetradentate/cyclam.cjson
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  1269. share/avogadro2/fragments/ligands/tetradentate/cyclen.cjson
  1270. share/avogadro2/fragments/ligands/tetradentate/cyclen.png
  1271. share/avogadro2/fragments/ligands/tetradentate/groups.smi
  1272. share/avogadro2/fragments/ligands/tetradentate/phthalocyanine.cjson
  1273. share/avogadro2/fragments/ligands/tetradentate/phthalocyanine.png
  1274. share/avogadro2/fragments/ligands/tetradentate/porphin.cjson
  1275. share/avogadro2/fragments/ligands/tetradentate/porphin.png
  1276. share/avogadro2/fragments/ligands/tetradentate/salen.cjson
  1277. share/avogadro2/fragments/ligands/tetradentate/salen.png
  1278. share/avogadro2/fragments/ligands/tetradentate/tpa-tris-2-pyridylmethyl-amine.cjson
  1279. share/avogadro2/fragments/ligands/tetradentate/tpa-tris-2-pyridylmethyl-amine.png
  1280. share/avogadro2/fragments/ligands/tetradentate/trien-triethylenetetramine.cjson
  1281. share/avogadro2/fragments/ligands/tetradentate/trien-triethylenetetramine.png
  1282. share/avogadro2/fragments/ligands/tridentate/9-ane-S3.cjson
  1283. share/avogadro2/fragments/ligands/tridentate/9-ane-S3.png
  1284. share/avogadro2/fragments/ligands/tridentate/dien-diethylenetriamine.cjson
  1285. share/avogadro2/fragments/ligands/tridentate/dien-diethylenetriamine.png
  1286. share/avogadro2/fragments/ligands/tridentate/groups.smi
  1287. share/avogadro2/fragments/ligands/tridentate/tacn-147-triazacyclononane.cjson
  1288. share/avogadro2/fragments/ligands/tridentate/tacn-147-triazacyclononane.png
  1289. share/avogadro2/fragments/ligands/tridentate/terpyridine.cjson
  1290. share/avogadro2/fragments/ligands/tridentate/terpyridine.png
  1291. share/avogadro2/fragments/ligands/tridentate/tp-scorpionate.cjson
  1292. share/avogadro2/fragments/ligands/tridentate/tp-scorpionate.png
  1293. share/avogadro2/fragments/ligands/tridentate/triphos.cjson
  1294. share/avogadro2/fragments/ligands/tridentate/triphos.png
  1295. share/avogadro2/fragments/polymers/acetylenes/cis-acetylene.png
  1296. share/avogadro2/fragments/polymers/acetylenes/cis-acetylene.smi
  1297. share/avogadro2/fragments/polymers/acetylenes/diacetylene.png
  1298. share/avogadro2/fragments/polymers/acetylenes/diacetylene.smi
  1299. share/avogadro2/fragments/polymers/acetylenes/trans-acetylene.png
  1300. share/avogadro2/fragments/polymers/acetylenes/trans-acetylene.smi
  1301. share/avogadro2/fragments/polymers/acrylates/acrylic-acid.png
  1302. share/avogadro2/fragments/polymers/acrylates/acrylic-acid.smi
  1303. share/avogadro2/fragments/polymers/acrylates/acrylonitrile.png
  1304. share/avogadro2/fragments/polymers/acrylates/acrylonitrile.smi
  1305. share/avogadro2/fragments/polymers/acrylates/butyl-acrylate.png
  1306. share/avogadro2/fragments/polymers/acrylates/butyl-acrylate.smi
  1307. share/avogadro2/fragments/polymers/acrylates/butyl-metacrylate.png
  1308. share/avogadro2/fragments/polymers/acrylates/butyl-metacrylate.smi
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  1315. share/avogadro2/fragments/polymers/acrylates/methyl-cyanoacrylate.png
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  1319. share/avogadro2/fragments/polymers/acrylates/octyl-cyanoacrylate.png
  1320. share/avogadro2/fragments/polymers/acrylates/octyl-cyanoacrylate.smi
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  1323. share/avogadro2/fragments/polymers/acrylates/propyl-methacrylate.png
  1324. share/avogadro2/fragments/polymers/acrylates/propyl-methacrylate.smi
  1325. share/avogadro2/fragments/polymers/amides/benzamide.png
  1326. share/avogadro2/fragments/polymers/amides/benzamide.smi
  1327. share/avogadro2/fragments/polymers/amides/caprolactam.png
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  1329. share/avogadro2/fragments/polymers/amides/kevlar.png
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  1333. share/avogadro2/fragments/polymers/amides/nylon-11.png
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  1335. share/avogadro2/fragments/polymers/amides/nylon-6-10.png
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  1341. share/avogadro2/fragments/polymers/amides/nylon-8.png
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  1343. share/avogadro2/fragments/polymers/anhydrides/dipropanoic-anhydride.png
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  1345. share/avogadro2/fragments/polymers/anhydrides/maleic-anhydride.png
  1346. share/avogadro2/fragments/polymers/anhydrides/maleic-anhydride.smi
  1347. share/avogadro2/fragments/polymers/aromatics/2,6-dimethyl-phenol.png
  1348. share/avogadro2/fragments/polymers/aromatics/2,6-dimethyl-phenol.smi
  1349. share/avogadro2/fragments/polymers/aromatics/3-hexylthiophene.png
  1350. share/avogadro2/fragments/polymers/aromatics/3-hexylthiophene.smi
  1351. share/avogadro2/fragments/polymers/aromatics/aniline.png
  1352. share/avogadro2/fragments/polymers/aromatics/aniline.smi
  1353. share/avogadro2/fragments/polymers/aromatics/carbazole.png
  1354. share/avogadro2/fragments/polymers/aromatics/carbazole.smi
  1355. share/avogadro2/fragments/polymers/aromatics/edot.png
  1356. share/avogadro2/fragments/polymers/aromatics/edot.smi
  1357. share/avogadro2/fragments/polymers/aromatics/ethylenedioxythiophene.png
  1358. share/avogadro2/fragments/polymers/aromatics/ethylenedioxythiophene.smi
  1359. share/avogadro2/fragments/polymers/aromatics/fluorene.png
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  1361. share/avogadro2/fragments/polymers/aromatics/furan.png
  1362. share/avogadro2/fragments/polymers/aromatics/furan.smi
  1363. share/avogadro2/fragments/polymers/aromatics/leucoemeraldine.png
  1364. share/avogadro2/fragments/polymers/aromatics/leucoemeraldine.smi
  1365. share/avogadro2/fragments/polymers/aromatics/n-vinyl-carbazole.png
  1366. share/avogadro2/fragments/polymers/aromatics/n-vinyl-carbazole.smi
  1367. share/avogadro2/fragments/polymers/aromatics/o-methylaniline.png
  1368. share/avogadro2/fragments/polymers/aromatics/o-methylaniline.smi
  1369. share/avogadro2/fragments/polymers/aromatics/p-phenylene-ether.png
  1370. share/avogadro2/fragments/polymers/aromatics/p-phenylene-ether.smi
  1371. share/avogadro2/fragments/polymers/aromatics/p-phenylene-vinylene.png
  1372. share/avogadro2/fragments/polymers/aromatics/p-phenylene-vinylene.smi
  1373. share/avogadro2/fragments/polymers/aromatics/p-phenylene.png
  1374. share/avogadro2/fragments/polymers/aromatics/p-phenylene.smi
  1375. share/avogadro2/fragments/polymers/aromatics/pernigraniline.png
  1376. share/avogadro2/fragments/polymers/aromatics/pernigraniline.smi
  1377. share/avogadro2/fragments/polymers/aromatics/phenylene-oxide.png
  1378. share/avogadro2/fragments/polymers/aromatics/phenylene-oxide.smi
  1379. share/avogadro2/fragments/polymers/aromatics/phenylene-sulfide.png
  1380. share/avogadro2/fragments/polymers/aromatics/phenylene-sulfide.smi
  1381. share/avogadro2/fragments/polymers/aromatics/prodot.png
  1382. share/avogadro2/fragments/polymers/aromatics/prodot.smi
  1383. share/avogadro2/fragments/polymers/aromatics/pyrrole.png
  1384. share/avogadro2/fragments/polymers/aromatics/pyrrole.smi
  1385. share/avogadro2/fragments/polymers/aromatics/thiadiazole.png
  1386. share/avogadro2/fragments/polymers/aromatics/thiadiazole.smi
  1387. share/avogadro2/fragments/polymers/aromatics/thiophene.png
  1388. share/avogadro2/fragments/polymers/aromatics/thiophene.smi
  1389. share/avogadro2/fragments/polymers/carbonates/bisphenyl-dimethyl-carbonate.png
  1390. share/avogadro2/fragments/polymers/carbonates/bisphenyl-dimethyl-carbonate.smi
  1391. share/avogadro2/fragments/polymers/dienes/1,2-butadiene.png
  1392. share/avogadro2/fragments/polymers/dienes/1,2-butadiene.smi
  1393. share/avogadro2/fragments/polymers/dienes/1,2-isoprene.png
  1394. share/avogadro2/fragments/polymers/dienes/1,2-isoprene.smi
  1395. share/avogadro2/fragments/polymers/dienes/3,4-isoprene.png
  1396. share/avogadro2/fragments/polymers/dienes/3,4-isoprene.smi
  1397. share/avogadro2/fragments/polymers/dienes/bromoprene.png
  1398. share/avogadro2/fragments/polymers/dienes/bromoprene.smi
  1399. share/avogadro2/fragments/polymers/dienes/butadiene.png
  1400. share/avogadro2/fragments/polymers/dienes/butadiene.smi
  1401. share/avogadro2/fragments/polymers/dienes/chloroprene.png
  1402. share/avogadro2/fragments/polymers/dienes/chloroprene.smi
  1403. share/avogadro2/fragments/polymers/dienes/cis-1,4-butadiene.png
  1404. share/avogadro2/fragments/polymers/dienes/cis-1,4-butadiene.smi
  1405. share/avogadro2/fragments/polymers/dienes/cis-1,4-isoprene.png
  1406. share/avogadro2/fragments/polymers/dienes/cis-1,4-isoprene.smi
  1407. share/avogadro2/fragments/polymers/dienes/isoprene.png
  1408. share/avogadro2/fragments/polymers/dienes/isoprene.smi
  1409. share/avogadro2/fragments/polymers/dienes/neoprene.png
  1410. share/avogadro2/fragments/polymers/dienes/neoprene.smi
  1411. share/avogadro2/fragments/polymers/dienes/trans-1,4-butadiene.png
  1412. share/avogadro2/fragments/polymers/dienes/trans-1,4-butadiene.smi
  1413. share/avogadro2/fragments/polymers/dienes/trans-1,4-isoprene.png
  1414. share/avogadro2/fragments/polymers/dienes/trans-1,4-isoprene.smi
  1415. share/avogadro2/fragments/polymers/esters/2-hydroxy-butyrate.png
  1416. share/avogadro2/fragments/polymers/esters/2-hydroxy-butyrate.smi
  1417. share/avogadro2/fragments/polymers/esters/butylene-isophthalate.png
  1418. share/avogadro2/fragments/polymers/esters/butylene-isophthalate.smi
  1419. share/avogadro2/fragments/polymers/esters/butylene-terephthalate.png
  1420. share/avogadro2/fragments/polymers/esters/butylene-terephthalate.smi
  1421. share/avogadro2/fragments/polymers/esters/caprolactone.png
  1422. share/avogadro2/fragments/polymers/esters/caprolactone.smi
  1423. share/avogadro2/fragments/polymers/esters/cyclohexylenedimethylene-terephthalate.png
  1424. share/avogadro2/fragments/polymers/esters/cyclohexylenedimethylene-terephthalate.smi
  1425. share/avogadro2/fragments/polymers/esters/ethylene-isophthalate.png
  1426. share/avogadro2/fragments/polymers/esters/ethylene-isophthalate.smi
  1427. share/avogadro2/fragments/polymers/esters/ethylene-naphthalate.png
  1428. share/avogadro2/fragments/polymers/esters/ethylene-naphthalate.smi
  1429. share/avogadro2/fragments/polymers/esters/ethylene-sebacate.png
  1430. share/avogadro2/fragments/polymers/esters/ethylene-sebacate.smi
  1431. share/avogadro2/fragments/polymers/esters/ethylene-succinate.png
  1432. share/avogadro2/fragments/polymers/esters/ethylene-succinate.smi
  1433. share/avogadro2/fragments/polymers/esters/ethylene-terephthalate.png
  1434. share/avogadro2/fragments/polymers/esters/ethylene-terephthalate.smi
  1435. share/avogadro2/fragments/polymers/esters/glycolic-acid.png
  1436. share/avogadro2/fragments/polymers/esters/glycolic-acid.smi
  1437. share/avogadro2/fragments/polymers/esters/glycolide.png
  1438. share/avogadro2/fragments/polymers/esters/glycolide.smi
  1439. share/avogadro2/fragments/polymers/esters/hydroxybutyrate.png
  1440. share/avogadro2/fragments/polymers/esters/hydroxybutyrate.smi
  1441. share/avogadro2/fragments/polymers/esters/lactic-acid.png
  1442. share/avogadro2/fragments/polymers/esters/lactic-acid.smi
  1443. share/avogadro2/fragments/polymers/esters/propylene-isophthalate.png
  1444. share/avogadro2/fragments/polymers/esters/propylene-isophthalate.smi
  1445. share/avogadro2/fragments/polymers/esters/propylene-terephthalate.png
  1446. share/avogadro2/fragments/polymers/esters/propylene-terephthalate.smi
  1447. share/avogadro2/fragments/polymers/ethers/2,6-dimethyl-phenol.png
  1448. share/avogadro2/fragments/polymers/ethers/2,6-dimethyl-phenol.smi
  1449. share/avogadro2/fragments/polymers/ethers/PEEK.png
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  1451. share/avogadro2/fragments/polymers/ethers/acetal.png
  1452. share/avogadro2/fragments/polymers/ethers/acetal.smi
  1453. share/avogadro2/fragments/polymers/ethers/acetaldehyde.png
  1454. share/avogadro2/fragments/polymers/ethers/acetaldehyde.smi
  1455. share/avogadro2/fragments/polymers/ethers/ether-imide.png
  1456. share/avogadro2/fragments/polymers/ethers/ether-imide.smi
  1457. share/avogadro2/fragments/polymers/ethers/ether-sulfone.png
  1458. share/avogadro2/fragments/polymers/ethers/ether-sulfone.smi
  1459. share/avogadro2/fragments/polymers/ethers/ethylene-glycol.png
  1460. share/avogadro2/fragments/polymers/ethers/ethylene-glycol.smi
  1461. share/avogadro2/fragments/polymers/ethers/ethylene-oxide.png
  1462. share/avogadro2/fragments/polymers/ethers/ethylene-oxide.smi
  1463. share/avogadro2/fragments/polymers/ethers/formaldehyde.png
  1464. share/avogadro2/fragments/polymers/ethers/formaldehyde.smi
  1465. share/avogadro2/fragments/polymers/ethers/methylene-oxide.png
  1466. share/avogadro2/fragments/polymers/ethers/methylene-oxide.smi
  1467. share/avogadro2/fragments/polymers/ethers/propylene-glycol.png
  1468. share/avogadro2/fragments/polymers/ethers/propylene-glycol.smi
  1469. share/avogadro2/fragments/polymers/ethers/propylene-oxide.png
  1470. share/avogadro2/fragments/polymers/ethers/propylene-oxide.smi
  1471. share/avogadro2/fragments/polymers/ethers/tetramethylene-oxide.png
  1472. share/avogadro2/fragments/polymers/ethers/tetramethylene-oxide.smi
  1473. share/avogadro2/fragments/polymers/ethers/trimethylene-oxide.png
  1474. share/avogadro2/fragments/polymers/ethers/trimethylene-oxide.smi
  1475. share/avogadro2/fragments/polymers/imides/4,4-oxydiphenylene-pyromellitimide.png
  1476. share/avogadro2/fragments/polymers/imides/4,4-oxydiphenylene-pyromellitimide.smi
  1477. share/avogadro2/fragments/polymers/imides/diaminophenylether-pyromellitic-anhydride.png
  1478. share/avogadro2/fragments/polymers/imides/diaminophenylether-pyromellitic-anhydride.smi
  1479. share/avogadro2/fragments/polymers/imides/kapton.png
  1480. share/avogadro2/fragments/polymers/imides/kapton.smi
  1481. share/avogadro2/fragments/polymers/imines/aniline.png
  1482. share/avogadro2/fragments/polymers/imines/aniline.smi
  1483. share/avogadro2/fragments/polymers/imines/pyrrole.png
  1484. share/avogadro2/fragments/polymers/imines/pyrrole.smi
  1485. share/avogadro2/fragments/polymers/ketones/PEEK.png
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  1487. share/avogadro2/fragments/polymers/ketones/PEK.png
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  1489. share/avogadro2/fragments/polymers/ketones/ether-ether-ketone.png
  1490. share/avogadro2/fragments/polymers/ketones/ether-ether-ketone.smi
  1491. share/avogadro2/fragments/polymers/ketones/ether-ketone.png
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  1493. share/avogadro2/fragments/polymers/ketones/ethylene-ketone.png
  1494. share/avogadro2/fragments/polymers/ketones/ethylene-ketone.smi
  1495. share/avogadro2/fragments/polymers/ketones/propylene-ketone.png
  1496. share/avogadro2/fragments/polymers/ketones/propylene-ketone.smi
  1497. share/avogadro2/fragments/polymers/olefins/1-hexene.png
  1498. share/avogadro2/fragments/polymers/olefins/1-hexene.smi
  1499. share/avogadro2/fragments/polymers/olefins/1-octene.png
  1500. share/avogadro2/fragments/polymers/olefins/1-octene.smi
  1501. share/avogadro2/fragments/polymers/olefins/1-pentene.png
  1502. share/avogadro2/fragments/polymers/olefins/1-pentene.smi
  1503. share/avogadro2/fragments/polymers/olefins/2-methyl-propene.png
  1504. share/avogadro2/fragments/polymers/olefins/2-methyl-propene.smi
  1505. share/avogadro2/fragments/polymers/olefins/4-methyl-1-pentene.png
  1506. share/avogadro2/fragments/polymers/olefins/4-methyl-1-pentene.smi
  1507. share/avogadro2/fragments/polymers/olefins/butylene.png
  1508. share/avogadro2/fragments/polymers/olefins/butylene.smi
  1509. share/avogadro2/fragments/polymers/olefins/chloro-trifluoro-ethylene.png
  1510. share/avogadro2/fragments/polymers/olefins/chloro-trifluoro-ethylene.smi
  1511. share/avogadro2/fragments/polymers/olefins/ethylene.png
  1512. share/avogadro2/fragments/polymers/olefins/ethylene.smi
  1513. share/avogadro2/fragments/polymers/olefins/isobutylene.png
  1514. share/avogadro2/fragments/polymers/olefins/isobutylene.smi
  1515. share/avogadro2/fragments/polymers/olefins/methyl-pentene.png
  1516. share/avogadro2/fragments/polymers/olefins/methyl-pentene.smi
  1517. share/avogadro2/fragments/polymers/olefins/propylene.png
  1518. share/avogadro2/fragments/polymers/olefins/propylene.smi
  1519. share/avogadro2/fragments/polymers/olefins/teflon.png
  1520. share/avogadro2/fragments/polymers/olefins/teflon.smi
  1521. share/avogadro2/fragments/polymers/olefins/tetrafluoroethylene.png
  1522. share/avogadro2/fragments/polymers/olefins/tetrafluoroethylene.smi
  1523. share/avogadro2/fragments/polymers/phosphazenes/bis-2-methoxyethoxy-methoxyethoxyethoxy-phosphazine.png
  1524. share/avogadro2/fragments/polymers/phosphazenes/bis-2-methoxyethoxy-methoxyethoxyethoxy-phosphazine.smi
  1525. share/avogadro2/fragments/polymers/phosphazenes/bis-alanine-ethyl-ester-phosphazine.png
  1526. share/avogadro2/fragments/polymers/phosphazenes/bis-alanine-ethyl-ester-phosphazine.smi
  1527. share/avogadro2/fragments/polymers/phosphazenes/bis-dihydroxylpropyl-phosphazine.png
  1528. share/avogadro2/fragments/polymers/phosphazenes/bis-dihydroxylpropyl-phosphazine.smi
  1529. share/avogadro2/fragments/polymers/phosphazenes/bis-ethyl-glycolato-phosphazine.png
  1530. share/avogadro2/fragments/polymers/phosphazenes/bis-ethyl-glycolato-phosphazine.smi
  1531. share/avogadro2/fragments/polymers/phosphazenes/bis-ethyl-lactato-phosphazine.png
  1532. share/avogadro2/fragments/polymers/phosphazenes/bis-ethyl-lactato-phosphazine.smi
  1533. share/avogadro2/fragments/polymers/phosphazenes/bis-methoxyethoxyethoxy-phosphazine.png
  1534. share/avogadro2/fragments/polymers/phosphazenes/bis-methoxyethoxyethoxy-phosphazine.smi
  1535. share/avogadro2/fragments/polymers/phosphazenes/bis-phenylalanine-ethyl-ester-phosphazine.png
  1536. share/avogadro2/fragments/polymers/phosphazenes/bis-phenylalanine-ethyl-ester-phosphazine.smi
  1537. share/avogadro2/fragments/polymers/phosphazenes/bis-valine-ethyl-ester-phosphazine.png
  1538. share/avogadro2/fragments/polymers/phosphazenes/bis-valine-ethyl-ester-phosphazine.smi
  1539. share/avogadro2/fragments/polymers/phosphazenes/di(carboxylatophenoxy)phosphazine.png
  1540. share/avogadro2/fragments/polymers/phosphazenes/di(carboxylatophenoxy)phosphazine.smi
  1541. share/avogadro2/fragments/polymers/phosphazenes/dichlorophosphazene.png
  1542. share/avogadro2/fragments/polymers/phosphazenes/dichlorophosphazene.smi
  1543. share/avogadro2/fragments/polymers/phosphazenes/difluorophosphazene.png
  1544. share/avogadro2/fragments/polymers/phosphazenes/difluorophosphazene.smi
  1545. share/avogadro2/fragments/polymers/phosphazenes/dimethoxyphosphazene.png
  1546. share/avogadro2/fragments/polymers/phosphazenes/dimethoxyphosphazene.smi
  1547. share/avogadro2/fragments/polymers/phosphazenes/diphenoxy-phosphazene.png
  1548. share/avogadro2/fragments/polymers/phosphazenes/diphenoxy-phosphazene.smi
  1549. share/avogadro2/fragments/polymers/rings/benzimidazole.png
  1550. share/avogadro2/fragments/polymers/rings/benzimidazole.smi
  1551. share/avogadro2/fragments/polymers/rings/dicyclopentadiene.png
  1552. share/avogadro2/fragments/polymers/rings/dicyclopentadiene.smi
  1553. share/avogadro2/fragments/polymers/silanes/dimethylsilane.png
  1554. share/avogadro2/fragments/polymers/silanes/dimethylsilane.smi
  1555. share/avogadro2/fragments/polymers/silanes/methyl-phenyl-silane.png
  1556. share/avogadro2/fragments/polymers/silanes/methyl-phenyl-silane.smi
  1557. share/avogadro2/fragments/polymers/siloxanes/dimethyl-siloxane.png
  1558. share/avogadro2/fragments/polymers/siloxanes/dimethyl-siloxane.smi
  1559. share/avogadro2/fragments/polymers/siloxanes/methyl-phenyl-siloxane.png
  1560. share/avogadro2/fragments/polymers/siloxanes/methyl-phenyl-siloxane.smi
  1561. share/avogadro2/fragments/polymers/styrenes/alpha-methyl-styrene.png
  1562. share/avogadro2/fragments/polymers/styrenes/alpha-methyl-styrene.smi
  1563. share/avogadro2/fragments/polymers/styrenes/p-hydroxy-styrene.png
  1564. share/avogadro2/fragments/polymers/styrenes/p-hydroxy-styrene.smi
  1565. share/avogadro2/fragments/polymers/styrenes/styrene-sulfonate.png
  1566. share/avogadro2/fragments/polymers/styrenes/styrene-sulfonate.smi
  1567. share/avogadro2/fragments/polymers/styrenes/styrene.png
  1568. share/avogadro2/fragments/polymers/styrenes/styrene.smi
  1569. share/avogadro2/fragments/polymers/sulfides/phenylene-sulfide.png
  1570. share/avogadro2/fragments/polymers/sulfides/phenylene-sulfide.smi
  1571. share/avogadro2/fragments/polymers/sulfones/ether-sulfone.png
  1572. share/avogadro2/fragments/polymers/sulfones/ether-sulfone.smi
  1573. share/avogadro2/fragments/polymers/sulfones/phenylene-sulfone.png
  1574. share/avogadro2/fragments/polymers/sulfones/phenylene-sulfone.smi
  1575. share/avogadro2/fragments/polymers/sulfones/sulfone.png
  1576. share/avogadro2/fragments/polymers/sulfones/sulfone.smi
  1577. share/avogadro2/fragments/polymers/ureas/urea.png
  1578. share/avogadro2/fragments/polymers/ureas/urea.smi
  1579. share/avogadro2/fragments/polymers/vinyls/2-vinyl-pyridine.png
  1580. share/avogadro2/fragments/polymers/vinyls/2-vinyl-pyridine.smi
  1581. share/avogadro2/fragments/polymers/vinyls/isoprene.png
  1582. share/avogadro2/fragments/polymers/vinyls/isoprene.smi
  1583. share/avogadro2/fragments/polymers/vinyls/methyl-vinyl-ether.png
  1584. share/avogadro2/fragments/polymers/vinyls/methyl-vinyl-ether.smi
  1585. share/avogadro2/fragments/polymers/vinyls/vinyl-acetate.png
  1586. share/avogadro2/fragments/polymers/vinyls/vinyl-acetate.smi
  1587. share/avogadro2/fragments/polymers/vinyls/vinyl-alcohol.png
  1588. share/avogadro2/fragments/polymers/vinyls/vinyl-alcohol.smi
  1589. share/avogadro2/fragments/polymers/vinyls/vinyl-amine.png
  1590. share/avogadro2/fragments/polymers/vinyls/vinyl-amine.smi
  1591. share/avogadro2/fragments/polymers/vinyls/vinyl-chloride.png
  1592. share/avogadro2/fragments/polymers/vinyls/vinyl-chloride.smi
  1593. share/avogadro2/fragments/polymers/vinyls/vinyl-ether.png
  1594. share/avogadro2/fragments/polymers/vinyls/vinyl-ether.smi
  1595. share/avogadro2/fragments/polymers/vinyls/vinyl-fluoride.png
  1596. share/avogadro2/fragments/polymers/vinyls/vinyl-fluoride.smi
  1597. share/avogadro2/fragments/polymers/vinyls/vinyl-methyl-ketone.png
  1598. share/avogadro2/fragments/polymers/vinyls/vinyl-methyl-ketone.smi
  1599. share/avogadro2/fragments/polymers/vinyls/vinyl-pyridine.png
  1600. share/avogadro2/fragments/polymers/vinyls/vinyl-pyridine.smi
  1601. share/avogadro2/fragments/polymers/vinyls/vinyl-pyrrolidone.png
  1602. share/avogadro2/fragments/polymers/vinyls/vinyl-pyrrolidone.smi
  1603. share/avogadro2/fragments/polymers/vinyls/vinylidene-chloride.png
  1604. share/avogadro2/fragments/polymers/vinyls/vinylidene-chloride.smi
  1605. share/avogadro2/fragments/polymers/vinyls/vinylidene-fluoride.png
  1606. share/avogadro2/fragments/polymers/vinyls/vinylidene-fluoride.smi
  1607. share/avogadro2/fragments/scripts/depict-polymers.py
  1608. share/avogadro2/fragments/scripts/depict_ligands.py
  1609. share/avogadro2/fragments/scripts/generate-ligands.py
  1610. share/avogadro2/fragments/scripts/getamino.py
  1611. share/avogadro2/fragments/scripts/rdkit-fragments.py
  1612. share/avogadro2/fragments/scripts/requirements.txt
  1613. share/avogadro2/fragments/scripts/svg2png.py
  1614. share/avogadro2/fragments/scripts/test_depict_ligands.smi
  1615. share/avogadro2/fragments/thiocyanate.png
  1616. share/avogadro2/molecules/LICENSE
  1617. share/avogadro2/molecules/README.md
  1618. share/avogadro2/molecules/alcohols/2-aminoethanol.cml
  1619. share/avogadro2/molecules/alcohols/but-2-yne-1_4-diol.cml
  1620. share/avogadro2/molecules/alcohols/cyclohexanol.cml
  1621. share/avogadro2/molecules/alcohols/cyclopentanol.cml
  1622. share/avogadro2/molecules/alcohols/ethane-1_2-diol.cml
  1623. share/avogadro2/molecules/alcohols/ethanol.cml
  1624. share/avogadro2/molecules/alcohols/methanol.cml
  1625. share/avogadro2/molecules/alcohols/propan-1-ol.cml
  1626. share/avogadro2/molecules/alcohols/propan-2-ol.cml
  1627. share/avogadro2/molecules/alcohols/propane-1_2_3-triol.cml
  1628. share/avogadro2/molecules/aldehydes/acetaldehyde.cml
  1629. share/avogadro2/molecules/aldehydes/formaldehyde.cml
  1630. share/avogadro2/molecules/alkanes/2-methylpropane.cml
  1631. share/avogadro2/molecules/alkanes/butane.cml
  1632. share/avogadro2/molecules/alkanes/decane.cml
  1633. share/avogadro2/molecules/alkanes/dodecane.cml
  1634. share/avogadro2/molecules/alkanes/eicosane.cml
  1635. share/avogadro2/molecules/alkanes/ethane.cml
  1636. share/avogadro2/molecules/alkanes/heptane.cml
  1637. share/avogadro2/molecules/alkanes/hexadecane.cml
  1638. share/avogadro2/molecules/alkanes/hexane.cml
  1639. share/avogadro2/molecules/alkanes/methane.cml
  1640. share/avogadro2/molecules/alkanes/nonane.cml
  1641. share/avogadro2/molecules/alkanes/octane.cml
  1642. share/avogadro2/molecules/alkanes/pentadecane.cml
  1643. share/avogadro2/molecules/alkanes/pentane.cml
  1644. share/avogadro2/molecules/alkanes/propane.cml
  1645. share/avogadro2/molecules/alkanes/tetracosane.cml
  1646. share/avogadro2/molecules/alkanes/tetradecane.cml
  1647. share/avogadro2/molecules/alkanes/tridecane.cml
  1648. share/avogadro2/molecules/alkanes/undecane.cml
  1649. share/avogadro2/molecules/alkenes/2-methylbut-2-ene.cml
  1650. share/avogadro2/molecules/alkenes/2-methylbuta-1_3-diene.cml
  1651. share/avogadro2/molecules/alkenes/3E-penta-1_3-diene.cml
  1652. share/avogadro2/molecules/alkenes/3Z-penta-1_3-diene.cml
  1653. share/avogadro2/molecules/alkenes/3Z_3-ethylhepta-1_3-diene.cml
  1654. share/avogadro2/molecules/alkenes/E-but-2-ene.cml
  1655. share/avogadro2/molecules/alkenes/E-hept-2-ene.cml
  1656. share/avogadro2/molecules/alkenes/E-hept-3-ene.cml
  1657. share/avogadro2/molecules/alkenes/E-hex-2-ene.cml
  1658. share/avogadro2/molecules/alkenes/E-hex-3-ene.cml
  1659. share/avogadro2/molecules/alkenes/E-oct-2-ene.cml
  1660. share/avogadro2/molecules/alkenes/E-oct-3-ene.cml
  1661. share/avogadro2/molecules/alkenes/E-oct-4-ene.cml
  1662. share/avogadro2/molecules/alkenes/E-pent-2-ene.cml
  1663. share/avogadro2/molecules/alkenes/Z-but-2-ene.cml
  1664. share/avogadro2/molecules/alkenes/Z-hept-2-ene.cml
  1665. share/avogadro2/molecules/alkenes/Z-hept-3-ene.cml
  1666. share/avogadro2/molecules/alkenes/Z-hex-2-ene.cml
  1667. share/avogadro2/molecules/alkenes/Z-hex-3-ene.cml
  1668. share/avogadro2/molecules/alkenes/Z-oct-2-ene.cml
  1669. share/avogadro2/molecules/alkenes/Z-oct-3-ene.cml
  1670. share/avogadro2/molecules/alkenes/Z-oct-4-ene.cml
  1671. share/avogadro2/molecules/alkenes/Z-pent-2-ene.cml
  1672. share/avogadro2/molecules/alkenes/but-1-ene.cml
  1673. share/avogadro2/molecules/alkenes/ethene.cml
  1674. share/avogadro2/molecules/alkenes/hept-1-ene.cml
  1675. share/avogadro2/molecules/alkenes/hex-1-ene.cml
  1676. share/avogadro2/molecules/alkenes/oct-1-ene.cml
  1677. share/avogadro2/molecules/alkenes/pent-1-ene.cml
  1678. share/avogadro2/molecules/alkenes/propene.cml
  1679. share/avogadro2/molecules/alkynes/acetylene.cml
  1680. share/avogadro2/molecules/alkynes/propyne.cml
  1681. share/avogadro2/molecules/amides/N_N-dimethylacetamide.cml
  1682. share/avogadro2/molecules/amides/N_N-dimethylformamide.cml
  1683. share/avogadro2/molecules/amides/acetamide.cml
  1684. share/avogadro2/molecules/amides/ethyl_carbamate.cml
  1685. share/avogadro2/molecules/amides/oxamide.cml
  1686. share/avogadro2/molecules/amines/1H-azepine.cml
  1687. share/avogadro2/molecules/amines/2-aminopropane.cml
  1688. share/avogadro2/molecules/amines/S-sec-butylamine.cml
  1689. share/avogadro2/molecules/amines/ammonia.cml
  1690. share/avogadro2/molecules/amines/azepane.cml
  1691. share/avogadro2/molecules/amines/diethylamine.cml
  1692. share/avogadro2/molecules/amines/dimethylamine.cml
  1693. share/avogadro2/molecules/amines/ethylamine.cml
  1694. share/avogadro2/molecules/amines/methylamine.cml
  1695. share/avogadro2/molecules/amines/piperazine.cml
  1696. share/avogadro2/molecules/amines/piperidine.cml
  1697. share/avogadro2/molecules/amines/pyrrolidine.cml
  1698. share/avogadro2/molecules/amines/tert-butylamine.cml
  1699. share/avogadro2/molecules/amines/triethylamine.cml
  1700. share/avogadro2/molecules/amines/triethylenediamine.cml
  1701. share/avogadro2/molecules/amines/trimethylamine.cml
  1702. share/avogadro2/molecules/amino_acids/D-alanine.cml
  1703. share/avogadro2/molecules/amino_acids/D-allo-threonine.cml
  1704. share/avogadro2/molecules/amino_acids/D-arginine.cml
  1705. share/avogadro2/molecules/amino_acids/D-asparagine.cml
  1706. share/avogadro2/molecules/amino_acids/D-aspartic_acid.cml
  1707. share/avogadro2/molecules/amino_acids/D-cysteine.cml
  1708. share/avogadro2/molecules/amino_acids/D-glutamic_acid.cml
  1709. share/avogadro2/molecules/amino_acids/D-glutamine.cml
  1710. share/avogadro2/molecules/amino_acids/D-histidine.cml
  1711. share/avogadro2/molecules/amino_acids/D-isoleucine.cml
  1712. share/avogadro2/molecules/amino_acids/D-leucine.cml
  1713. share/avogadro2/molecules/amino_acids/D-lysine.cml
  1714. share/avogadro2/molecules/amino_acids/D-methionine.cml
  1715. share/avogadro2/molecules/amino_acids/D-phenylalanine.cml
  1716. share/avogadro2/molecules/amino_acids/D-proline.cml
  1717. share/avogadro2/molecules/amino_acids/D-serine.cml
  1718. share/avogadro2/molecules/amino_acids/D-threonine.cml
  1719. share/avogadro2/molecules/amino_acids/D-tryptophan.cml
  1720. share/avogadro2/molecules/amino_acids/D-tyrosine.cml
  1721. share/avogadro2/molecules/amino_acids/D-valine.cml
  1722. share/avogadro2/molecules/amino_acids/L-4-nitrophenylalanine.cml
  1723. share/avogadro2/molecules/amino_acids/L-alanine.cml
  1724. share/avogadro2/molecules/amino_acids/L-allo-isoleucine.cml
  1725. share/avogadro2/molecules/amino_acids/L-arginine.cml
  1726. share/avogadro2/molecules/amino_acids/L-asparagine.cml
  1727. share/avogadro2/molecules/amino_acids/L-aspartic_acid.cml
  1728. share/avogadro2/molecules/amino_acids/L-cysteine.cml
  1729. share/avogadro2/molecules/amino_acids/L-glutamic_acid.cml
  1730. share/avogadro2/molecules/amino_acids/L-glutamine.cml
  1731. share/avogadro2/molecules/amino_acids/L-histidine.cml
  1732. share/avogadro2/molecules/amino_acids/L-isoleucine.cml
  1733. share/avogadro2/molecules/amino_acids/L-leucine.cml
  1734. share/avogadro2/molecules/amino_acids/L-lysine.cml
  1735. share/avogadro2/molecules/amino_acids/L-methionine.cml
  1736. share/avogadro2/molecules/amino_acids/L-phenylalanine.cml
  1737. share/avogadro2/molecules/amino_acids/L-proline.cml
  1738. share/avogadro2/molecules/amino_acids/L-serine.cml
  1739. share/avogadro2/molecules/amino_acids/L-threonine.cml
  1740. share/avogadro2/molecules/amino_acids/L-tryptophan.cml
  1741. share/avogadro2/molecules/amino_acids/L-tyrosine.cml
  1742. share/avogadro2/molecules/amino_acids/L-valine.cml
  1743. share/avogadro2/molecules/amino_acids/glycine.cml
  1744. share/avogadro2/molecules/aromatics/1H-indene.cml
  1745. share/avogadro2/molecules/aromatics/1H-indole.cml
  1746. share/avogadro2/molecules/aromatics/1_10-phenanthroline.cml
  1747. share/avogadro2/molecules/aromatics/1_8-naphthyridine.cml
  1748. share/avogadro2/molecules/aromatics/2H-chromene.cml
  1749. share/avogadro2/molecules/aromatics/4H-chromene.cml
  1750. share/avogadro2/molecules/aromatics/7H-purine.cml
  1751. share/avogadro2/molecules/aromatics/9H-carbazole.cml
  1752. share/avogadro2/molecules/aromatics/9H-fluorene.cml
  1753. share/avogadro2/molecules/aromatics/9H-xanthene.cml
  1754. share/avogadro2/molecules/aromatics/acenaphthene.cml
  1755. share/avogadro2/molecules/aromatics/acenaphthenequinone.cml
  1756. share/avogadro2/molecules/aromatics/acenaphthylene.cml
  1757. share/avogadro2/molecules/aromatics/acridine.cml
  1758. share/avogadro2/molecules/aromatics/aniline.cml
  1759. share/avogadro2/molecules/aromatics/anisole.cml
  1760. share/avogadro2/molecules/aromatics/anthracene.cml
  1761. share/avogadro2/molecules/aromatics/benzaldehyde.cml
  1762. share/avogadro2/molecules/aromatics/benzene.cml
  1763. share/avogadro2/molecules/aromatics/benzofuran.cml
  1764. share/avogadro2/molecules/aromatics/benzoic_acid.cml
  1765. share/avogadro2/molecules/aromatics/benzothiophene.cml
  1766. share/avogadro2/molecules/aromatics/benzoyl_chloride.cml
  1767. share/avogadro2/molecules/aromatics/caffeine.cml
  1768. share/avogadro2/molecules/aromatics/chromone.cml
  1769. share/avogadro2/molecules/aromatics/cinnoline.cml
  1770. share/avogadro2/molecules/aromatics/coumarin.cml
  1771. share/avogadro2/molecules/aromatics/isoquinoline.cml
  1772. share/avogadro2/molecules/aromatics/naphthalene.cml
  1773. share/avogadro2/molecules/aromatics/nitrobenzene.cml
  1774. share/avogadro2/molecules/aromatics/phenanthrene.cml
  1775. share/avogadro2/molecules/aromatics/phenol.cml
  1776. share/avogadro2/molecules/aromatics/phthalimide.cml
  1777. share/avogadro2/molecules/aromatics/quinazoline.cml
  1778. share/avogadro2/molecules/aromatics/quinoline.cml
  1779. share/avogadro2/molecules/aromatics/tetralin.cml
  1780. share/avogadro2/molecules/aromatics/toluene.cml
  1781. share/avogadro2/molecules/aromatics/uric_acid.cml
  1782. share/avogadro2/molecules/carbamides/urea.cml
  1783. share/avogadro2/molecules/carbohydrates/d-allose.cml
  1784. share/avogadro2/molecules/carbohydrates/d-altrose.cml
  1785. share/avogadro2/molecules/carbohydrates/d-arabinose.cml
  1786. share/avogadro2/molecules/carbohydrates/d-erythrose.cml
  1787. share/avogadro2/molecules/carbohydrates/d-erythrulose.cml
  1788. share/avogadro2/molecules/carbohydrates/d-fructose.cml
  1789. share/avogadro2/molecules/carbohydrates/d-galactose.cml
  1790. share/avogadro2/molecules/carbohydrates/d-glucose.cml
  1791. share/avogadro2/molecules/carbohydrates/d-glyceraldehyde.cml
  1792. share/avogadro2/molecules/carbohydrates/d-gulose.cml
  1793. share/avogadro2/molecules/carbohydrates/d-idose.cml
  1794. share/avogadro2/molecules/carbohydrates/d-lyxose.cml
  1795. share/avogadro2/molecules/carbohydrates/d-mannose.cml
  1796. share/avogadro2/molecules/carbohydrates/d-psicose.cml
  1797. share/avogadro2/molecules/carbohydrates/d-ribose.cml
  1798. share/avogadro2/molecules/carbohydrates/d-ribulose.cml
  1799. share/avogadro2/molecules/carbohydrates/d-sorbose.cml
  1800. share/avogadro2/molecules/carbohydrates/d-tagatose.cml
  1801. share/avogadro2/molecules/carbohydrates/d-talose.cml
  1802. share/avogadro2/molecules/carbohydrates/d-threose.cml
  1803. share/avogadro2/molecules/carbohydrates/d-xylose.cml
  1804. share/avogadro2/molecules/carbohydrates/d-xylulose.cml
  1805. share/avogadro2/molecules/carbohydrates/dihydroxyacetone.cml
  1806. share/avogadro2/molecules/carboxylic_acids/2_2-dichloroacetic_acid.cml
  1807. share/avogadro2/molecules/carboxylic_acids/2_2_2-trichloroacetic_acid.cml
  1808. share/avogadro2/molecules/carboxylic_acids/2_2_2-trifluoroacetic_acid.cml
  1809. share/avogadro2/molecules/carboxylic_acids/D-lactic_acid.cml
  1810. share/avogadro2/molecules/carboxylic_acids/D-malic_acid.cml
  1811. share/avogadro2/molecules/carboxylic_acids/D-tartaric_acid.cml
  1812. share/avogadro2/molecules/carboxylic_acids/E-butanoic_acid.cml
  1813. share/avogadro2/molecules/carboxylic_acids/E-butenedioic_acid.cml
  1814. share/avogadro2/molecules/carboxylic_acids/L-ascorbic_acid.cml
  1815. share/avogadro2/molecules/carboxylic_acids/L-lactic_acid.cml
  1816. share/avogadro2/molecules/carboxylic_acids/L-malic_acid.cml
  1817. share/avogadro2/molecules/carboxylic_acids/L-tartaric_acid.cml
  1818. share/avogadro2/molecules/carboxylic_acids/acetic_acid.cml
  1819. share/avogadro2/molecules/carboxylic_acids/butanoic_acid.cml
  1820. share/avogadro2/molecules/carboxylic_acids/citric_acid.cml
  1821. share/avogadro2/molecules/carboxylic_acids/formic_acid.cml
  1822. share/avogadro2/molecules/carboxylic_acids/isobutyric_acid.cml
  1823. share/avogadro2/molecules/carboxylic_acids/oxalic_acid.cml
  1824. share/avogadro2/molecules/carboxylic_acids/propanoic_acid.cml
  1825. share/avogadro2/molecules/coordination/3-trigonal-planar.cml
  1826. share/avogadro2/molecules/coordination/3-trigonal-pyramidal.cml
  1827. share/avogadro2/molecules/coordination/4-planar.cml
  1828. share/avogadro2/molecules/coordination/4-tetrahedral.cml
  1829. share/avogadro2/molecules/coordination/5-square-pyramidal.cml
  1830. share/avogadro2/molecules/coordination/5-trigonal-bipyramidal.cml
  1831. share/avogadro2/molecules/coordination/6-octahedral.cml
  1832. share/avogadro2/molecules/cyclic_alkanes/1R-camphene.cml
  1833. share/avogadro2/molecules/cyclic_alkanes/1R-camphor.cml
  1834. share/avogadro2/molecules/cyclic_alkanes/abietic_acid.cml
  1835. share/avogadro2/molecules/cyclic_alkanes/adamantane.cml
  1836. share/avogadro2/molecules/cyclic_alkanes/cis-decahydronaphthalene.cml
  1837. share/avogadro2/molecules/cyclic_alkanes/cubane.cml
  1838. share/avogadro2/molecules/cyclic_alkanes/cyclobutane.cml
  1839. share/avogadro2/molecules/cyclic_alkanes/cyclodecane.cml
  1840. share/avogadro2/molecules/cyclic_alkanes/cycloheptane.cml
  1841. share/avogadro2/molecules/cyclic_alkanes/cyclohexane-boat.cml
  1842. share/avogadro2/molecules/cyclic_alkanes/cyclohexane-chair.cml
  1843. share/avogadro2/molecules/cyclic_alkanes/cyclohexane-twist-boat.cml
  1844. share/avogadro2/molecules/cyclic_alkanes/cyclohexane.cml
  1845. share/avogadro2/molecules/cyclic_alkanes/cyclononane.cml
  1846. share/avogadro2/molecules/cyclic_alkanes/cyclooctane.cml
  1847. share/avogadro2/molecules/cyclic_alkanes/cyclopentane.cml
  1848. share/avogadro2/molecules/cyclic_alkanes/cyclopropane.cml
  1849. share/avogadro2/molecules/cyclic_alkanes/norbornane.cml
  1850. share/avogadro2/molecules/cyclic_alkanes/trans-decahydronaphthalene.cml
  1851. share/avogadro2/molecules/cyclic_alkenes/Z-cycloheptene.cml
  1852. share/avogadro2/molecules/cyclic_alkenes/Z-cyclooctene.cml
  1853. share/avogadro2/molecules/cyclic_alkenes/cyclohepta-1_3-diene.cml
  1854. share/avogadro2/molecules/cyclic_alkenes/cyclohepta-1_3_5-triene.cml
  1855. share/avogadro2/molecules/cyclic_alkenes/cyclohepta-1_4-diene.cml
  1856. share/avogadro2/molecules/cyclic_alkenes/cyclohexa-1_3-diene.cml
  1857. share/avogadro2/molecules/cyclic_alkenes/cyclohexa-1_4-diene.cml
  1858. share/avogadro2/molecules/cyclic_alkenes/cyclohexene.cml
  1859. share/avogadro2/molecules/cyclic_alkenes/cycloocta-1_3-diene.cml
  1860. share/avogadro2/molecules/cyclic_alkenes/cycloocta-1_3_5-triene.cml
  1861. share/avogadro2/molecules/cyclic_alkenes/cycloocta-1_3_5_7-tetraene.cml
  1862. share/avogadro2/molecules/cyclic_alkenes/cyclopenta-1_3-diene.cml
  1863. share/avogadro2/molecules/cyclic_alkenes/cyclopentene.cml
  1864. share/avogadro2/molecules/cyclic_sugars/alpha-D-allopyranose.cml
  1865. share/avogadro2/molecules/cyclic_sugars/alpha-D-arabinopyranose.cml
  1866. share/avogadro2/molecules/cyclic_sugars/alpha-D-fucopyranose.cml
  1867. share/avogadro2/molecules/cyclic_sugars/alpha-D-galactopyranose.cml
  1868. share/avogadro2/molecules/cyclic_sugars/alpha-D-galacturonopyranose.cml
  1869. share/avogadro2/molecules/cyclic_sugars/alpha-D-glucopyranose.cml
  1870. share/avogadro2/molecules/cyclic_sugars/alpha-D-glucuronopyranose.cml
  1871. share/avogadro2/molecules/cyclic_sugars/alpha-D-gulopyranose.cml
  1872. share/avogadro2/molecules/cyclic_sugars/alpha-D-idopyranose.cml
  1873. share/avogadro2/molecules/cyclic_sugars/alpha-D-lyxopyranose.cml
  1874. share/avogadro2/molecules/cyclic_sugars/alpha-D-mannopyranose.cml
  1875. share/avogadro2/molecules/cyclic_sugars/alpha-D-psicopyranose.cml
  1876. share/avogadro2/molecules/cyclic_sugars/alpha-D-rhamnopyranose.cml
  1877. share/avogadro2/molecules/cyclic_sugars/alpha-D-ribopyranose.cml
  1878. share/avogadro2/molecules/cyclic_sugars/alpha-D-tagatopyranose.cml
  1879. share/avogadro2/molecules/cyclic_sugars/alpha-D-talopyranose.cml
  1880. share/avogadro2/molecules/cyclic_sugars/alpha-D-xylopyranose.cml
  1881. share/avogadro2/molecules/cyclic_sugars/alpha-L-arabinopyranose.cml
  1882. share/avogadro2/molecules/cyclic_sugars/alpha-L-fucopyranose.cml
  1883. share/avogadro2/molecules/cyclic_sugars/alpha-L-galactopyranose.cml
  1884. share/avogadro2/molecules/cyclic_sugars/alpha-L-lyxopyranose.cml
  1885. share/avogadro2/molecules/cyclic_sugars/alpha-L-rhamnopyranose.cml
  1886. share/avogadro2/molecules/cyclic_sugars/alpha-L-ribopyranose.cml
  1887. share/avogadro2/molecules/cyclic_sugars/alpha-L-sorbopyranose.cml
  1888. share/avogadro2/molecules/cyclic_sugars/alpha-L-xylopyranose.cml
  1889. share/avogadro2/molecules/cyclic_sugars/beta-D-allopyranose.cml
  1890. share/avogadro2/molecules/cyclic_sugars/beta-D-arabinopyranose.cml
  1891. share/avogadro2/molecules/cyclic_sugars/beta-D-fructopyranose.cml
  1892. share/avogadro2/molecules/cyclic_sugars/beta-D-fucopyranose.cml
  1893. share/avogadro2/molecules/cyclic_sugars/beta-D-galactopyranose.cml
  1894. share/avogadro2/molecules/cyclic_sugars/beta-D-glucopyranose.cml
  1895. share/avogadro2/molecules/cyclic_sugars/beta-D-gulopyranose.cml
  1896. share/avogadro2/molecules/cyclic_sugars/beta-D-idopyranose.cml
  1897. share/avogadro2/molecules/cyclic_sugars/beta-D-lyxopyranose.cml
  1898. share/avogadro2/molecules/cyclic_sugars/beta-D-mannopyranose.cml
  1899. share/avogadro2/molecules/cyclic_sugars/beta-D-rhamnopyranose.cml
  1900. share/avogadro2/molecules/cyclic_sugars/beta-D-ribopyranose.cml
  1901. share/avogadro2/molecules/cyclic_sugars/beta-D-tagatopyranose.cml
  1902. share/avogadro2/molecules/cyclic_sugars/beta-D-talopyranose.cml
  1903. share/avogadro2/molecules/cyclic_sugars/beta-D-xylopyranose.cml
  1904. share/avogadro2/molecules/cyclic_sugars/beta-L-arabinopyranose.cml
  1905. share/avogadro2/molecules/cyclic_sugars/beta-L-lyxopyranose.cml
  1906. share/avogadro2/molecules/cyclic_sugars/beta-L-ribopyranose.cml
  1907. share/avogadro2/molecules/cyclic_sugars/beta-L-xylopyranose.cml
  1908. share/avogadro2/molecules/ethers/1_4-dioxane.cml
  1909. share/avogadro2/molecules/ethers/di-tert-butylether.cml
  1910. share/avogadro2/molecules/ethers/dibutylether.cml
  1911. share/avogadro2/molecules/ethers/diethylether.cml
  1912. share/avogadro2/molecules/ethers/diisopropylether.cml
  1913. share/avogadro2/molecules/ethers/dimethylether.cml
  1914. share/avogadro2/molecules/ethers/dipropylether.cml
  1915. share/avogadro2/molecules/ethers/ethylmethylether.cml
  1916. share/avogadro2/molecules/ethers/tetrahydrofuran.cml
  1917. share/avogadro2/molecules/ethers/tetrahydropyran.cml
  1918. share/avogadro2/molecules/fatty_acids/arachidonic_acid.cml
  1919. share/avogadro2/molecules/fatty_acids/cervonic_acid.cml
  1920. share/avogadro2/molecules/fatty_acids/decanoic_acid.cml
  1921. share/avogadro2/molecules/fatty_acids/hexanoic_acid.cml
  1922. share/avogadro2/molecules/fatty_acids/lauric_acid.cml
  1923. share/avogadro2/molecules/fatty_acids/linoleic_acid.cml
  1924. share/avogadro2/molecules/fatty_acids/linolenic_acid.cml
  1925. share/avogadro2/molecules/fatty_acids/myristic_acid.cml
  1926. share/avogadro2/molecules/fatty_acids/octanoic_acid.cml
  1927. share/avogadro2/molecules/fatty_acids/oleic_acid.cml
  1928. share/avogadro2/molecules/fatty_acids/palmitic_acid.cml
  1929. share/avogadro2/molecules/fatty_acids/pentanoic_acid.cml
  1930. share/avogadro2/molecules/fatty_acids/stearic_acid.cml
  1931. share/avogadro2/molecules/fullerenes/C180.cml
  1932. share/avogadro2/molecules/fullerenes/C20.cml
  1933. share/avogadro2/molecules/fullerenes/C24.cml
  1934. share/avogadro2/molecules/fullerenes/C240.cml
  1935. share/avogadro2/molecules/fullerenes/C26.cml
  1936. share/avogadro2/molecules/fullerenes/C28.cml
  1937. share/avogadro2/molecules/fullerenes/C30.cml
  1938. share/avogadro2/molecules/fullerenes/C32.cml
  1939. share/avogadro2/molecules/fullerenes/C36.cml
  1940. share/avogadro2/molecules/fullerenes/C50.cml
  1941. share/avogadro2/molecules/fullerenes/C60-buckminsterfullerene.cml
  1942. share/avogadro2/molecules/fullerenes/C70.cml
  1943. share/avogadro2/molecules/fullerenes/C76.cml
  1944. share/avogadro2/molecules/fullerenes/C78.cml
  1945. share/avogadro2/molecules/fullerenes/C80.cml
  1946. share/avogadro2/molecules/fullerenes/PC70BM.cml
  1947. share/avogadro2/molecules/fullerenes/PCBM.cml
  1948. share/avogadro2/molecules/heteroaromatics/1H-indole.cml
  1949. share/avogadro2/molecules/heteroaromatics/1H-pyrazole.cml
  1950. share/avogadro2/molecules/heteroaromatics/1H-pyrrole.cml
  1951. share/avogadro2/molecules/heteroaromatics/1_2-oxazole.cml
  1952. share/avogadro2/molecules/heteroaromatics/1_2-thiazole.cml
  1953. share/avogadro2/molecules/heteroaromatics/1_3-oxazole.cml
  1954. share/avogadro2/molecules/heteroaromatics/1_3-thiazole.cml
  1955. share/avogadro2/molecules/heteroaromatics/benzofuran.cml
  1956. share/avogadro2/molecules/heteroaromatics/benzothiophene.cml
  1957. share/avogadro2/molecules/heteroaromatics/furan.cml
  1958. share/avogadro2/molecules/heteroaromatics/isonicotinamide.cml
  1959. share/avogadro2/molecules/heteroaromatics/isonicotinic_acid.cml
  1960. share/avogadro2/molecules/heteroaromatics/nicotinamide.cml
  1961. share/avogadro2/molecules/heteroaromatics/nicotinic_acid.cml
  1962. share/avogadro2/molecules/heteroaromatics/picolinamide.cml
  1963. share/avogadro2/molecules/heteroaromatics/picolinic_acid.cml
  1964. share/avogadro2/molecules/heteroaromatics/pyridine.cml
  1965. share/avogadro2/molecules/heteroaromatics/thiophene.cml
  1966. share/avogadro2/molecules/ketones/acetone.cml
  1967. share/avogadro2/molecules/ketones/butanone.cml
  1968. share/avogadro2/molecules/ketones/cyclohexanone.cml
  1969. share/avogadro2/molecules/ketones/methyl_vinyl_ketone.cml
  1970. share/avogadro2/molecules/ketones/p-benzoquinone.cml
  1971. share/avogadro2/molecules/ligands/Cp-cyclopentadienyl.cml
  1972. share/avogadro2/molecules/macrocycles/phthalocyanine.cml
  1973. share/avogadro2/molecules/macrocycles/porphin.cml
  1974. share/avogadro2/molecules/nitriles/1_1_1-trichloroacetonitrile.cml
  1975. share/avogadro2/molecules/nitriles/acetonitrile.cml
  1976. share/avogadro2/molecules/nitriles/butyronitrile.cml
  1977. share/avogadro2/molecules/nitriles/isobutyronitrile.cml
  1978. share/avogadro2/molecules/nitriles/propionitrile.cml
  1979. share/avogadro2/molecules/nucleobases/adenine.cml
  1980. share/avogadro2/molecules/nucleobases/cytosine.cml
  1981. share/avogadro2/molecules/nucleobases/guanine.cml
  1982. share/avogadro2/molecules/nucleobases/thymine.cml
  1983. share/avogadro2/molecules/nucleobases/uracil.cml
  1984. share/avogadro2/molecules/plugin.json
  1985. share/avogadro2/molecules/steroids/cholesterol.cml
  1986. share/avogadro2/molecules/steroids/estradiol.cml
  1987. share/avogadro2/molecules/steroids/testosterone.cml
  1988. share/avogadro2/molecules/sulfoxides/dimethyl_sulfoxide.cml
  1989. share/avogadro2/molecules/thiols/2-methylproprane-2-thiol.cml
  1990. share/avogadro2/molecules/thiols/R_butane-2-thiol.cml
  1991. share/avogadro2/molecules/thiols/butane-1-thiol.cml
  1992. share/avogadro2/molecules/thiols/ethane-1_2-dithiol.cml
  1993. share/avogadro2/molecules/thiols/ethanethiol.cml
  1994. share/avogadro2/molecules/thiols/heptane-1-thiol.cml
  1995. share/avogadro2/molecules/thiols/hexane-1-thiol.cml
  1996. share/avogadro2/molecules/thiols/methanethiol.cml
  1997. share/avogadro2/molecules/thiols/octane-1-thiol.cml
  1998. share/avogadro2/molecules/thiols/pentane-1-thiol.cml
  1999. share/avogadro2/molecules/thiols/proprane-1-thiol.cml
  2000. share/avogadro2/molecules/thiols/proprane-2-thiol.cml
  2001. share/avogadro2/molecules/water.cml
  2002. @owner
  2003. @group
  2004. @mode
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Dependency lines:
  • avogadrolibs>0:science/avogadrolibs
To install the port:
cd /usr/ports/science/avogadrolibs/ && make install clean
To add the package, run one of these commands:
  • pkg install science/avogadrolibs
  • pkg install avogadrolibs
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.
PKGNAME: avogadrolibs
Flavors: there is no flavor information for this port.
distinfo:
TIMESTAMP = 1707763072 SHA256 (OpenChemistry-avogadrolibs-1.99.0_GH0.tar.gz) = 34808e3c602b0f60f3c160ff0220832aee777db86e962e3f958c6327fb434063 SIZE (OpenChemistry-avogadrolibs-1.99.0_GH0.tar.gz) = 4858298

Expand this list (6 items)

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SHA256 (OpenChemistry-molecules-b1e16c5_GH0.tar.gz) = 9aa48dd94022e022d2c9eb9802ba72a4bfd69c04a08a36d562bfffc7d24bf99b SIZE (OpenChemistry-molecules-b1e16c5_GH0.tar.gz) = 207309 SHA256 (OpenChemistry-crystals-73a5bbc_GH0.tar.gz) = f48a06bb9e4bdc1f7dbed22fe31b187b5aa490f5796f6927001228e9ced41a5e SIZE (OpenChemistry-crystals-73a5bbc_GH0.tar.gz) = 157627 SHA256 (OpenChemistry-fragments-8dc711a_GH0.tar.gz) = 9d8060a66716f9c78d0ed2bb3b9a2a4f57700ce880ce548dc062698505b7eae7 SIZE (OpenChemistry-fragments-8dc711a_GH0.tar.gz) = 2553176

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Packages (timestamps in pop-ups are UTC):
avogadrolibs
ABIaarch64amd64armv6armv7i386powerpcpowerpc64powerpc64le
FreeBSD:13:latest1.99.01.99.0-1.99.01.99.0---
FreeBSD:13:quarterly1.97.0_31.97.0_3-1.97.0_31.97.0_3-1.97.0_31.97.0_3
FreeBSD:14:latest1.99.01.99.0-1.99.01.99.0---
FreeBSD:14:quarterly1.97.0_31.97.0_3-1.97.0_31.97.0_3-1.97.0_31.97.0_3
FreeBSD:15:latest1.99.01.99.0n/a1.99.0n/a-1.97.0_31.99.0
FreeBSD:15:quarterly--n/a-n/a---
Dependencies
NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
Build dependencies:
  1. mmtf-cpp>0 : science/mmtf-cpp
  2. endian.h : devel/boost-libs
  3. cmake : devel/cmake-core
  4. ninja : devel/ninja
  5. eigen3.pc : math/eigen3
  6. xorgproto>=0 : x11/xorgproto
  7. xorgproto>=0 : x11/xorgproto
  8. qt5-buildtools>=5.15 : devel/qt5-buildtools
  9. qt5-qmake>=5.15 : devel/qt5-qmake
Test dependencies:
  1. googletest>0 : devel/googletest
  2. molequeue>0 : misc/molequeue
Runtime dependencies:
  1. eigen3.pc : math/eigen3
Library dependencies:
  1. libhdf5.so : science/hdf5
  2. libsz.so : science/libaec
  3. libmsym.so : science/libmsym
  4. libsymspg.so : science/spglib
  5. libarchive.so.13 : archivers/libarchive
  6. libGL.so : graphics/libglvnd
  7. libGLEW.so : graphics/glew
  8. libGLU.so : graphics/libGLU
  9. libQt5Concurrent.so : devel/qt5-concurrent
  10. libQt5Core.so : devel/qt5-core
  11. libQt5Gui.so : x11-toolkits/qt5-gui
  12. libQt5Network.so : net/qt5-network
  13. libQt5Svg.so : graphics/qt5-svg
  14. libQt5Widgets.so : x11-toolkits/qt5-widgets
This port is required by:
for Libraries
  1. science/avogadro2
  2. science/kalzium
  3. science/py-avogadrolibs

Configuration Options:
===> The following configuration options are available for avogadrolibs-1.99.0: HDF5=on: HDF-5 data format support LIBARCHIVE=on: Enable optional Libarchive features LIBMSYM=on: Enable optional features using libmsym MMTF=on: Enable optional features using mmtf OPENGL=on: 2D/3D rendering support via OpenGL QT5=on: Qt 5 toolkit support SPGLIB=on: Enable optional features using spglib VTK=off: Enable libraries that use VTK ===> Use 'make config' to modify these settings
Options name:
science_avogadrolibs
USES:
cmake:testing compiler:c++17-lang eigen:3,build,run localbase libarchive gl qt:5
FreshPorts was unable to extract/find any pkg message
Master Sites:
Expand this list (1 items)
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  1. https://codeload.github.com/OpenChemistry/avogadrolibs/tar.gz/1.99.0?dummy=/
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There are no commits on branch 2022Q2 for this port