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: 2.5.14

No release notes

Change Log
Bug fixes:

- MMTK.NormalModes.Core.reduceToRange() didn't work correctly for
- MMTK.Subspace.RigidMotionSubspace could fail for some object collections.
- Various 64-bit issues.
- Crashes at termination of Python when running under Python 2.5.
- Molecule creation through MoleculeFactory didn't work.


- MMTK.PDB.PDBConfiguration accepts optional arguments for model and
  alternate code.
- The C modules are adapted to the new 64-bit features in Python 2.5.
- Installation on Linux makes CLAPACK code compile correctly with GCC 4.
- Improved handling of PDB residues with non-unique atom names.
- Trajectory files contain a netCDF attributes "Conventions" that identifies
  them as MMTK trajectories.