BSD Portsscience/py-rmsd 1.7.0 FreeBSD
Calculate root-mean-square deviation (RMSD) between coordinate sets
- System
- FreeBSD
- Repository
- FreeBSD ports
- Maintainer
- [email protected]
- Last update
- Commit
0ad7a48608- License
- BSD2CLAUSE
- Categories
- science
- Package size
- 45.2 KiB, 216.1 KiB installed
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.
In the other systems
| System | Port | Version |
|---|---|---|
| FreeBSD | science/py-rmsd | 1.7.0 |
| DragonFly | science/py-rmsd | 1.6.3_1 |
Install
Binary package:
pkg install py312-rmsdFrom the ports tree:
cd /usr/ports/science/py-rmsd/ && make install cleanTo depend on this port in another port's Makefile:
RUN_DEPENDS= py312-rmsd>0:science/py-rmsdPackages
The version each package repository carries. “-” means the repository builds no package of it, “n/a” that there is no such repository.
| Repository | aarch64 | amd64 | armv6 | armv7 | i386 |
|---|---|---|---|---|---|
| FreeBSD:14:latest | 1.6.5 | 1.7.0 | - | 1.6.3_1 | 1.7.0 |
| FreeBSD:14:quarterly | 1.6.5 | 1.6.5 | n/a | 1.6.3_1 | 1.6.5 |
| FreeBSD:15:latest | 1.7.0 | 1.7.0 | n/a | 1.6.3_1 | 1.6.3_1 |
| FreeBSD:15:quarterly | 1.6.5 | 1.6.5 | n/a | n/a | n/a |
| FreeBSD:16:latest | 1.6.5 | 1.7.0 | n/a | n/a | n/a |
| FreeBSD:16:quarterly | n/a | n/a | n/a | n/a | n/a |
Dependencies
As this port's Makefile names them.
Build 1
${PYTHON_PKGNAMEPREFIX}wheel>0: devel/py-wheel
Runtime 2
${PYTHON_PKGNAMEPREFIX}numpy>=1.16: math/py-numpy${PYTHON_PKGNAMEPREFIX}scipy>0: science/py-scipy
The full lists below include those, and their dependencies in turn.
Build dependencies 16
Run dependencies 18
Required by 1
Configuration
No options to configure.
- USES
- python
- Service scripts
- none
Files
distinfo 1
| File | Size | SHA256 |
|---|---|---|
| charnley-rmsd-rmsd-1.7.0_GH0.tar.gz | 250681 | 95f2d4d7486cc86addc530e2c5b27d87fe91930806d27d8a3bf5a19ef833c543 |