Port details on branch 2022Q2 |
- py-rmsd Calculate root-mean-square deviation (RMSD) between coordinate sets
- 1.4_1 science =0 1.4_1Version of this port present on the latest quarterly branch.
- Maintainer: yuri@FreeBSD.org
- Port Added: 2019-01-18 02:03:56
- Last Update: 2023-06-27 19:34:34
- Commit Hash: 3d9a815
- License: BSD2CLAUSE
- WWW:
- https://github.com/charnley/rmsd
- Description:
- Calculate Root-mean-square deviation (RMSD) of Two Molecules Using Rotation.
The root-mean-square deviation (RMSD) is calculated, using Kabsch
algorithm (1976) or Quaternion algorithm (1991) for rotation, between two
Cartesian coordinates in either .xyz or .pdb format, resulting in the minimal
RMSD.
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- Manual pages:
- FreshPorts has no man page information for this port.
- pkg-plist: as obtained via:
make generate-plist - There is no configure plist information for this port.
- Dependency lines:
-
- ${PYTHON_PKGNAMEPREFIX}rmsd>0:science/py-rmsd@${PY_FLAVOR}
- To install the port:
- cd /usr/ports/science/py-rmsd/ && make install clean
- To add the package, run one of these commands:
- pkg install science/py-rmsd
- pkg install py39-rmsd
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above. NOTE: This is a Python port. Instead of py39-rmsd listed in the above command, you can pick from the names under the Packages section.- PKGNAME: py39-rmsd
- Package flavors (<flavor>: <package>)
- distinfo:
- TIMESTAMP = 1605074347
SHA256 (rmsd-1.4.tar.gz) = 16a84a5f919faa0f2361e55ad4009a7c28e19a21ee9cc3bdb83f28ffb566563f
SIZE (rmsd-1.4.tar.gz) = 18001
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:
-
- py39-setuptools>=63.1.0 : devel/py-setuptools@py39
- python3.9 : lang/python39
- Test dependencies:
-
- python3.9 : lang/python39
- Runtime dependencies:
-
- py39-numpy>=1.16,1<1.25,1 : math/py-numpy@py39
- py39-scipy>0 : science/py-scipy@py39
- py39-setuptools>=63.1.0 : devel/py-setuptools@py39
- python3.9 : lang/python39
- This port is required by:
- for Build
-
- science/py-atomium
- for Run
-
- science/py-atomium
Configuration Options:
- No options to configure
- Options name:
- science_py-rmsd
- USES:
- python
- FreshPorts was unable to extract/find any pkg message
- Master Sites:
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