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Oliver Beckstein

  Oliver.Beckstein

9 projects

pmda

Last released on Jun 7, 2018

Parallel Molecular Dynamics Analysis tools

numkit

Last released on Apr 27, 2018

numerical first aid kit

MDAnalysis

Last released on Apr 22, 2018

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

MDAnalysisTests

Last released on Apr 22, 2018

MDAnalysis http://mdanalysis.org testsuite

GridDataFormats

Last released on Jan 17, 2018

Reading and writing of data on regular grids in Python

propkatraj

Last released on Apr 18, 2017

obtain pKas for titreatable residues from a simulation trajectory

GromacsWrapper

Last released on Mar 23, 2017

A python wrapper around the gromacs tools.

RotamerConvolveMD

Last released on May 25, 2016

Analysis of spin label distances over structural ensembles

RecSQL

Last released on Nov 10, 2015

Treat SQLite tables as recarrays

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