Revision 950 - Directory Listing
Modified Fri Jan 29 11:57:38 2010 UTC (12 years, 3 months ago) by duarte
Copied from: trunk/proteinstructure/DecoyScoring revision 948

Major refactoring and clean-up.
Most important changes are some methods in Pdb class: get_graph->getRIGraph and dump2pdb->writeToPDBFile
Removed all specific FileFormatError exception classes, now using only the generic FileFormatError.
All tests passed.

Revision 945 - Directory Listing
Modified Wed Jan 27 16:49:49 2010 UTC (12 years, 3 months ago) by duarte
Original Path: trunk/proteinstructure/DecoyScoring

Added new scoring method: atom distance based scoring (scoring based on multiple distance bins, instead of just on contacts)

Revision 944 - Directory Listing
Modified Fri Jan 22 17:47:21 2010 UTC (12 years, 3 months ago) by duarte
Original Path: trunk/proteinstructure/DecoyScoring

Fixed bug (hopefully, didn't test!) introduced in last revision. Wasn't initialising properly the maps

Revision 942 - Directory Listing
Modified Fri Jan 22 14:03:44 2010 UTC (12 years, 3 months ago) by duarte
Original Path: trunk/proteinstructure/DecoyScoring

Moved up to Scorer initResMap and initAtomMap

Revision 906 - Directory Listing
Modified Tue Sep 22 13:25:42 2009 UTC (12 years, 7 months ago) by duarte
Original Path: trunk/proteinstructure/DecoyScoring

New classes for triplet scoring.

Revision 905 - Directory Listing
Modified Sun Sep 6 10:43:03 2009 UTC (12 years, 8 months ago) by duarte
Original Path: trunk/proteinstructure/DecoyScoring

Now printing some more rmsd stats (numbers of structs below certain rmsd cutoffs).

Revision 904 - Directory Listing
Added Thu Sep 3 15:34:21 2009 UTC (12 years, 8 months ago) by duarte
Original Path: trunk/proteinstructure/DecoyScoring

Moved all decoy scoring stuff to its own package.
Split CombinedScorer into two classes AtomCombinedScorer and ResCombinedScorer. Made combined scorer more efficient: now loading only once the graphs.