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MDTraj: a python library for loading, saving, and manipulating molecular dynamics trajectories.

Project Description

MDTraj provides an easy to use python interface for manipulating MD trajectories. It supports the reading and writing of molecular dynamics trajectories in a variety of formats, including full support for PDB, DCD, XTC, TRR, binpos, AMBER NetCDF, AMBER mdcrd and MDTraj HDF5. The package also provides a command line script for converting trajectories between supported formats.

Release history Release notifications

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1.9.1

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1.8.0

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1.7.2

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1.6.1

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1.6.0

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1.5.1

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1.5.0

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1.4.2

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1.4.1

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1.4.0

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1.3.0

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1.2.0

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1.1.0

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1.0.0

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0.9.0

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0.8.0

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0.7.0

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0.6.1

This version
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0.6.0

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0.5.1

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0.5.0

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0.4.3

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0.4.1

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0.4.0

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0.3.1

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0.3

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Filename, size & hash SHA256 hash help File type Python version Upload date
mdtraj-0.6.0.tar.gz (2.5 MB) Copy SHA256 hash SHA256 Source None Jan 22, 2014
mdtraj-0.6.0.zip (2.6 MB) Copy SHA256 hash SHA256 Source None Jan 22, 2014

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