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8 Projects


Last released on Jan 25, 2018

An object-oriented toolkit to analyze molecular dynamics trajectories generated by CHARMM, Gromacs, NAMD, LAMMPS, or Amber.


Last released on Jan 25, 2018

MDAnalysis testsuite


Last released on Jan 17, 2018

Reading and writing of data on regular grids in Python


Last released on Apr 18, 2017

obtain pKas for titreatable residues from a simulation trajectory


Last released on Mar 28, 2017

numerical first aid kit


Last released on Mar 23, 2017

A python wrapper around the gromacs tools.


Last released on May 25, 2016

Analysis of spin label distances over structural ensembles


Last released on Nov 10, 2015

Treat SQLite tables as recarrays

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