| Port details |
- molden Display molecular orbitals and electron densities in 2D and 3D
- 7.1_1,1 biology
 =1      7.1_1,1Version of this port present on the latest quarterly branch. - Maintainer: jmd@FreeBSD.org
- Port Added: unknown
- Last Update: 2023-04-23 09:09:58
- Commit Hash: 8d3e020
- License: Molden
- WWW:
- https://www.theochem.ru.nl/molden/
- Description:
- Molden is a package for displaying Molecular Density from the Ab Initio packages
GAMESS-UK, GAMESS-US and GAUSSIAN and the Semi-Empirical packages Mopac/Ampac,
it also supports a number of other programs via the Molden Format. Molden reads
all the required information from the GAMESS / GAUSSIAN outputfile. Molden is
capable of displaying Molecular Orbitals, the electron density and the Molecular
minus Atomic density. Either the spherically averaged atomic density or the
oriented ground state atomic density can be subtracted for a number of standard
basis sets. Molden supports contour plots, 3-d grid plots with hidden lines and
a combination of both. It can write a variety of graphics instructions;
postscript, XWindows, VRML, povray, OpenGL, tekronix4014, hpgl, hp2392 and
Figure. Both Xwindows and OpenGL versions of Molden are also capable of
importing and displaying of chemx, PDB, and a variety of mopac/ampac files and
lots of other formats. Molden also can animate reaction paths and molecular
vibrations. It can calculate and display the true or Multipole Derived
Electrostatic Potential and atomic charges can be fitted to the Electrostatic
Potential calculated on a Connolly surface. Molden also features an stand alone
forcefield program ambfor, which can optimise geometries with the combined Amber
(protein) and GAFF (small molecules) force fields. Atom typing can be done
automatically and interactively from within Molden, as well as firing
optimisation jobs. Molden has a powerful Z-matrix editor which give full control
over the geometry and allows you to build molecules from scratch, including
polypeptides.
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- Manual pages:
- FreshPorts has no man page information for this port.
- pkg-plist: as obtained via:
make generate-plist - Dependency lines:
-
- To install the port:
- cd /usr/ports/biology/molden/ && make install clean
- To add the package, run one of these commands:
- pkg install biology/molden
- pkg install molden
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.- PKGNAME: molden
- Flavors: there is no flavor information for this port.
- distinfo:
- TIMESTAMP = 1657929531
SHA256 (molden7.1.tar.gz) = 98a39f0aa1667c14c36f40c0251522984245e5ba282af8fbc8a2f06079e40d43
SIZE (molden7.1.tar.gz) = 14645590
Packages (timestamps in pop-ups are UTC):
- Dependencies
- NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
- Build dependencies:
-
- makedepend : devel/makedepend
- gfortran12 : lang/gcc12
- gmake>=4.3 : devel/gmake
- as : devel/binutils
- xorgproto>=0 : x11/xorgproto
- xorgproto>=0 : x11/xorgproto
- x11.pc : x11/libX11
- xmu.pc : x11-toolkits/libXmu
- Runtime dependencies:
-
- gfortran12 : lang/gcc12
- x11.pc : x11/libX11
- xmu.pc : x11-toolkits/libXmu
- Library dependencies:
-
- libGL.so : graphics/libglvnd
- libGLU.so : graphics/libGLU
- There are no ports dependent upon this port
Configuration Options:- ===> The following configuration options are available for molden-7.1_1,1:
DATA=on: Install data files
DOCS=on: Build and/or install documentation
===> Use 'make config' to modify these settings
- Options name:
- biology_molden
- USES:
- fortran gl gmake xorg
- FreshPorts was unable to extract/find any pkg message
- Master Sites:
|
| Commit History - (may be incomplete: for full details, see links to repositories near top of page) |
| Commit | Credits | Log message |
|---|
3.7_1
18 May 2002 03:24:22
  |
sada |
distfile has silently changed,
so md5 has to be rewritten.
PR: ports/37476
Submitted by: maintainer |
23 Jan 2002 19:59:19
|
sf |
o update to 3.7. differences from the PR: - this port requires Xlib so add
USE_XLIB. - remove unnecessary PORTREVISION. |
06 Nov 2001 13:32:44
|
sf |
chase checksum for repacked distfile almost an year ago. Maintainer does not
have previous distfile. As the distfile for this port is not distributable, it
is OK to me to change distinfo now. |
08 Jul 2001 19:15:34
|
ijliao |
Add NOPORTDOCS support to pkg-plist |
04 Mar 2001 17:26:38
|
roam |
Change MASTER_SITE and FTP/WWW lines: caos.kun.nl is cmbi.kun.nl now. |
13 Oct 2000 11:59:34
|
jeh |
A file was added to distfile and then repackaged with the same name. |
08 Oct 2000 00:23:30
|
asami |
Convert category biology to new layout. |
07 Jun 2000 17:59:47
|
will |
Update to 3.6. |
28 May 2000 05:03:36
|
steve |
Fix this port after the recent PORT{NAME,VERSION} changes. portlint(1) while
I'm here. |
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