BSD Ports

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.