The Higher Education and Research forge

Home My Page Projects Code Snippets Project Openings Molecular Modelling Toolkit
Summary Activity Forums Tracker Tasks Docs Surveys News SCM Files

Project Filelist for Molecular Modelling Toolkit

File Release Notes and Changelog

Release Name: 2.5.23

No release notes

Change Log
2.5.22 --> 2.5.23
=================

Bug fixes:

- NumPy compatibility fixes.

- Residue name conflicts were not handled correctly in PDBMoleculeFactory.

- VMD support in MMTK.Visualization didn't work under Windows.

- ParallelepipedicPeriodicUniverse.largestDistance() returned wrong values.

- Cell parameter handling in ParallelepipedicPeriodicUniverse was fixed.

- LennardJonesForceField would not initialize correctly in rare circumstances.

- Fixed setup.py to work with ScientificPython < 2.7.8.


Improvements:

- Better handling of add-on forcefields in trajectory descriptions.

- Support for atom-dependent force fields.

- Atom and residue filters were added to PDBMoleculeFactory.