wip/py-mdtraj 1.8.0 NetBSD
The analysis of molecular dynamics trajectories
- System
- NetBSD
- Repository
- pkgsrc-wip
- Maintainer
- [email protected]
- License
- gnu-lgpl-v2.1
- Categories
- wip, biology, python
Description
MDTraj is a python library that allows users to manipulate molecular dynamics(MD) trajectories and perform a variety of analyses, including fast RMSD, solvent accessible surface area, hydrogen bonding, etc. A highlight of MDTraj is the wide variety of molecular dynamics trajectory file formats which are supported, including RCSB pdb, GROMACS xtc, tng, and trr, CHARMM/NAMD dcd, AMBER binpos, AMBER NetCDF, AMBER mdcrd, TINKER arc and MDTraj HDF5
Install
From pkgsrc-wip (no binary package):
cd /usr/pkgsrc/wip/py-mdtraj && make install clean
Dependencies
Run dependencies 2
No port depends on this one.