Changelog for
python-MDAnalysis-0.7.7-5.13.i586.rpm :
Sun Jan 13 13:00:00 2013 p.drouandAATTgmail.com
- Update to 0.7.7 version:
* Enhancements
- multithreaded distance_array() (Issue 80, experimental); see the
new core.parallel.distance module
- MDAnalysis.analysis.rms for simple RMSD analysis
- format of input coordinates can be set as (filename, format)
tuples (Issue 76)
- new AtomGroup.asphericity() and AtomGroup.shapeParameter()
methods to compute shape descriptors.
- access to forces (AtomGroup.forces with get_forces() and set_forces();
the default unit for force is kJ/(mol
*A) and it is automatically
converted from/to native). Currently, only the TRR Reader/Writer
support forces.
- all element masses
- logger reports current version when starting
* Fixes
- fixed Issue 115 (GROReader now uses fixed-column width format to read GRO files)
- fixed Issue 116 (Failed to write AMBER netcdf trajectory from AtomGroup)
- fixed Issue 117 (could not write Gromacs XTC/TRR from AMBER netcdf)
- fixed Issue 120 (DCDWriter: wrote wrong unitcell information)
- fixed Issue 121 (PSFParser would fail with IndexError for files without SEGID)
- Issue 122 (made installation of netCDF4 library optional, which
means that users of the AMBER netcdf Reader/Writer will have to
manually install the library and its dependencies netcdf and HDF5,
see https://code.google.com/p/mdanalysis/wiki/netcdf)
Wed Jan 18 13:00:00 2012 toddrme2178AATTgmail.com
- Updated BuildRequires and Requires to match new dependency names
Wed Jan 11 13:00:00 2012 toddrme2178AATTgmail.com
- Cleaned up spec file
Thu Sep 8 14:00:00 2011 alinm.elenaAATTgmail.com
- initial commit