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MDTraj: A modern, open library for the analysis of molecular dynamics trajectories

Project 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 and trr, CHARMM / NAMD dcd, AMBER binpos, AMBER NetCDF, AMBER mdcrd, TINKER arc and MDTraj HDF5.

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mdtraj-1.5.1.zip (18.7 MB view hashes)

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mdtraj-1.5.1-cp35-cp35m-macosx_10_5_x86_64.whl (18.5 MB view hashes)

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mdtraj-1.5.1-cp34-cp34m-macosx_10_5_x86_64.whl (18.5 MB view hashes)

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mdtraj-1.5.1-cp27-none-macosx_10_5_x86_64.whl (18.5 MB view hashes)

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