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Project Filelist for Molecular Modelling Toolkit

File Release Notes and Changelog

Release Name: 2.5.19

No release notes

Change Log
New features:

- PDB.PDBConfiguration contains crystallographic information read from the
  PDB file: the edge lengths of the cell (a, b, c, in units of nm), the
  unit cell angles (alpha, beta, gamma, in units of radians),
  the space group (space_group, a string), the crystallographic
  symmetry transformations corresponding to the space group
  (cs_transformations, a list of transformation objects), and the
  non-crystallographic symmetry transformations (ncs_transformations,
  a list of transformation objects). The transformations are transformed
  to Cartesian coordinates, so they can be applied directly to the
  atom positions.
  This information is available only if ScientificPython >= 2.7.5 is


- Improved NumPy compatibility.

- Use the symeig package for normal modes if it is installed.

- universe.configuration() has been accelerated. The speedup can be
  very important (a factor of ten), but in most situations it is rather

- AMBER atom types are handled as case-sensitive, as is done by the
  AMBER program.

- Better identification of protonation states in PDB files that contain