r18497 - in /trunk: generic_fns/structure/ test_suite/shared_data/structures/diff_tensors/ -- February 19, 2013 - 16:46

Author: bugman
Date: Tue Feb 19 16:46:47 2013
New Revision: 18497

URL: http://svn.gna.org/viewcvs/relax?rev=18497&view=rev
Log:
Added a new module generic_fns.structure.pdb_write for generating the PDB 
records.

This decouples the formatting code from the internal structural obect.  The 
PDB format has been
updated to version 3.30.  There is one function for each PDB record, allowing 
this to be easily
extended and kept up to date.


Added:
    trunk/generic_fns/structure/pdb_write.py
Modified:
    trunk/generic_fns/structure/__init__.py
    trunk/generic_fns/structure/internal.py
    trunk/test_suite/shared_data/structures/diff_tensors/ellipsoid.pdb
    trunk/test_suite/shared_data/structures/diff_tensors/sphere.pdb
    trunk/test_suite/shared_data/structures/diff_tensors/spheroid.pdb

[This mail would be too long, it was shortened to contain the URLs only.]

Modified: trunk/generic_fns/structure/__init__.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/generic_fns/structure/__init__.py?rev=18497&r1=18496&r2=18497&view=diff

Modified: trunk/generic_fns/structure/internal.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/generic_fns/structure/internal.py?rev=18497&r1=18496&r2=18497&view=diff

Added: trunk/generic_fns/structure/pdb_write.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/generic_fns/structure/pdb_write.py?rev=18497&view=auto

Modified: trunk/test_suite/shared_data/structures/diff_tensors/ellipsoid.pdb
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/structures/diff_tensors/ellipsoid.pdb?rev=18497&r1=18496&r2=18497&view=diff

Modified: trunk/test_suite/shared_data/structures/diff_tensors/sphere.pdb
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/structures/diff_tensors/sphere.pdb?rev=18497&r1=18496&r2=18497&view=diff

Modified: trunk/test_suite/shared_data/structures/diff_tensors/spheroid.pdb
URL: 
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/structures/diff_tensors/spheroid.pdb?rev=18497&r1=18496&r2=18497&view=diff