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Oliver.Beckstein

8 Projects

GridDataFormats

Last released on May 13, 2016

Reading and writing of data on regular grids in Python

GromacsWrapper

Last released on Mar 23, 2017

A python wrapper around the gromacs tools.

MDAnalysis

Last released on Jun 27, 2017

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

MDAnalysisTests

Last released on Jun 27, 2017

MDAnalysis http://mdanalysis.org testsuite

numkit

Last released on Mar 28, 2017

numerical first aid kit

propkatraj

Last released on Apr 18, 2017

obtain pKas for titreatable residues from a simulation trajectory

RecSQL

Last released on Nov 10, 2015

Treat SQLite tables as recarrays

RotamerConvolveMD

Last released on May 25, 2016

Analysis of spin label distances over structural ensembles

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