Project Filelist for Molecular Modelling Toolkit
File Release Notes and Changelog
Release Name: 2.5.16
No release notes
2.5.15 --> 2.5.16 ================= Bug fixes: - Removed the dependency on Scientific 2.7.2 introduced into Random.py. MMTK 2.5.16 should again work with ScientificPython > 2.5. - Updated README 2.5.14 --> 2.5.15 ================= New features: - New method energyEvaluatorTerms() on universes. It returns a data structure (dictionary of dictionaries) that contains all the force field parameters for the given universe. It can be used to use MMTK as an energy term generator for other simulation programs. - There is a first draft for an interface to the CCPN data model. Since the data model itself is still evolving, changes to the MMTK interface are very likely as well. - New method GroupOfAtoms.normalizingTransformation. Improvements: - MMTK should now work with NumPy as an alternative to Numeric, though this combination still requires a lot of testing. See README for installation instructions. Bug fixes: - Minor bug fixes in MMTK.ProteinFriction and MMTK.NormalModes.BrownianModes.