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wip/py-mdtraj,
The analysis of molecular dynamics trajectories
Branch: CURRENT,
Version: 1.8.0,
Package name: py37-mdtraj-1.8.0,
Maintainer: jihbed.researchMDTraj 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
Required to run:[
devel/py-setuptools] [
math/py-numpy] [
devel/py-cython] [
lang/python37]
Required to build:[
pkgtools/cwrappers]
Master sites:
SHA1: d06b8e7f3b5fc9fdba62a11bda77eb62416ceae8
RMD160: 539fa565eabff3bfccbc21cc787ecbcf27c7566a
Filesize: 19372.988 KB
Version history: (Expand)
- (2020-09-29) Package has been reborn
- (2020-09-29) Package deleted from pkgsrc
- (2020-01-02) Package has been reborn
- (2019-12-17) Package deleted from pkgsrc
- (2019-12-15) Package has been reborn
- (2019-12-14) Package deleted from pkgsrc