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Project Filelist for Molecular Modelling Toolkit

File Release Notes and Changelog

Release Name: 2.5.17

No release notes

Change Log
New features:

- Method anisotropicFluctuations for normal modes.


- New atom definitions and updates to existing ones to include
  scattering lengths
- Methods setBondAttributes and clearBondAttributes available also
  on complexes (and thus proteins)

Bug fixes:

- PartitionedCollection.selectShell() used wrong distance criteria
- Fixed iteration over force constant matrices > 5 GB
- Improved NumPy compatibility
- AtomCluster objects were not correctly written to trajectory files
- Compilation/linking issues under Fedora 6 (GCC 4.1)