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conda-forge.org : mdtraj : 1.9.7
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.
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1.9.7
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- astunparse
- libgcc-ng >=12
- libstdcxx-ng >=12
- libzlib >=1.2.12,<1.3.0a0
- numpy >=1.21.6,<2.0a0
- pandas
- pyparsing
- pytables
- python >=3.10,<3.11.0a0
- python_abi 3.10.*
- scipy
- setuptools
- snappy
- zlib >=1.2.12,<1.3.0a0