Project Filelist for Molecular Modelling Toolkit
File Release Notes and Changelog
Release Name: 2.5.14
No release notes
Bug fixes: - MMTK.NormalModes.Core.reduceToRange() didn't work correctly for VibrationalModes. - 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. Improvements: - 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.