ReleaseNotes091

Tyler Reddy edited this page May 5, 2015 · 2 revisions

This is a minor new release of MDAnalysis, which contains a couple of enhancements and an important bug fix.

CHANGELOG

  • 0.9.1
  • released 27 March 2015

Enhancements

  • XYZ file format can be used without an associated topology file.
  • GAMESS output files can be read as trajectories for calculations of type SURFACE'' andOPTIMIZE'' (work wit both GAMESS-US and Firefly)

Changes

  • removed undocumented MDAnalysis.builder module

Fixes

  • TRR coordinate access via _y and_z now works properly (Issue 224)

Authors

manuel.nuno.melo, richardjgowers, comconadin

Project Information

About
GNU GPL v2 code license
Labels: python, molecular dynamics, analysis, DCD, CHARMM, LAMMPS, NAMD, Gromacs, computer simulation, atoms, coordinates, trajectory, XTC, Library, object-oriented
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