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. Improvements: - 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)