Reading and writing of data on regular grids in Python
A python wrapper around the gromacs tools.
An object-oriented toolkit to analyze molecular dynamics trajectories generated by CHARMM, Gromacs, NAMD, LAMMPS, or Amber.
MDAnalysis http://mdanalysis.org testsuite
numerical first aid kit
obtain pKas for titreatable residues from a simulation trajectory
Treat SQLite tables as recarrays
Analysis of spin label distances over structural ensembles
