ReleaseNotes091 - MDAnalysis/mdanalysis GitHub Wiki
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'' and
OPTIMIZE'' (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