[MMTK] MMTK 2.5.14

Konrad Hinsen hinsen at cnrs-orleans.fr
Tue Sep 19 12:21:13 CEST 2006


MMTK 2.5.14 is now available for download from

	http://sourcesup.cru.fr/projects/mmtk/

It contains bug fixes and minor improvements, some of which have been  
discussed here before. All users of the development branch (2.5.x)  
are encouraged to update to 2.5.14. Here are the changes listed one  
by one:

Bug fixes:

- MMTK.NormalModes.Core.reduceToRange() didn't work correctly for
   VibrationalModes.
- MMTK.Subspace.RigidMotionSubspace could fail for some object  
collections.
- Various 64-bit issues.
- Crashes at termination of Python when running under Python 2.5.
- Molecule creation through MoleculeFactory didn't work.

Improvements:

- MMTK.PDB.PDBConfiguration accepts optional arguments for model and
   alternate code.
- The C modules are adapted to the new 64-bit features in Python 2.5.
- Installation on Linux makes CLAPACK code compile correctly with GCC 4.
- Improved handling of PDB residues with non-unique atom names.
- Trajectory files contain a netCDF attributes "Conventions" that  
identifies
   them as MMTK trajectories.


This is also a good occasion to inform you that the latest  
development code is always accessible as a Mercurial archive at:

	http://dirac.cnrs-orleans.fr/hg/MMTK/main/

The archive can be browsed with any standard Web browser. For  
downloading a copy to your own computer, you need to install Mercurial:

	http://www.selenic.com/mercurial/wiki/index.cgi

The Subversion archive at sourcesup.cru.fr is no longer maintained  
because of a technical problem (the firewall at my current place of  
work does not let pass the Subversion protocol). Anyway, Mercurial is  
a much more convenient tool in my opinion...

Konrad.
--
---------------------------------------------------------------------
Konrad Hinsen
Centre de Biophysique Moléculaire, CNRS Orléans
Synchrotron Soleil - Division Expériences
Saint Aubin - BP 48
91192 Gif sur Yvette Cedex, France
Tel. +33-1 69 35 97 15
E-Mail: hinsen at cnrs-orleans.fr
---------------------------------------------------------------------





More information about the mmtk mailing list