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Project Filelist for Molecular Modelling Toolkit

File Release Notes and Changelog

Release Name: 2.5.16

No release notes

Change Log
2.5.15 --> 2.5.16

Bug fixes:

- Removed the dependency on Scientific 2.7.2 introduced into
  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.


- MMTK should now work with NumPy as an alternative to Numeric, though this
  combination still requires a lot of testing. See README for installation

Bug fixes:

- Minor bug fixes in MMTK.ProteinFriction and MMTK.NormalModes.BrownianModes.