Revision 133 - (view) (annotate) - [select for diffs]
Modified Fri May 11 09:37:38 2007 UTC (17 years, 4 months ago) by duarte
File length: 12833 byte(s)
Diff to previous 130

New functionality: now can create a Pdb object passing a model serial for NMR structures. Not implemented when reading from pdb files!

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Modified Thu May 10 15:52:24 2007 UTC (17 years, 4 months ago) by duarte
File length: 11799 byte(s)
Diff to previous 129

NEW FEATURE: reading pdb data from msdsd
New classes MsdsdInfo and its exception classes
FIXED BUG in dump2pdbfile in Pdb: was not sorting the atom lines

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Modified Thu May 10 13:12:32 2007 UTC (17 years, 4 months ago) by duarte
File length: 10095 byte(s)
Diff to previous 127

NEW FUNCTIONALITY: can retrieve now a ContactMap object from a Graph object
New method getCM in Graph. New member variables: sequence, accode, chain, nodes, directed
Passing more data from Pdb to Graph in get_graph
New constructor in ContactMap

Revision 127 - (view) (annotate) - [select for diffs]
Modified Wed May 9 14:54:02 2007 UTC (17 years, 4 months ago) by duarte
File length: 8991 byte(s)
Diff to previous 124

Implemented read of pdb data from pdb file.
FIXED BUG in dumping of pdb file. Was missing end of line in atom lines
Added more tests in testPdb

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Modified Wed May 9 11:57:24 2007 UTC (17 years, 4 months ago) by duarte
File length: 6497 byte(s)
Diff to previous 123

Added error handling for PdbaseInfo: 2 new exception classes

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Added Wed May 9 10:45:53 2007 UTC (17 years, 4 months ago) by duarte
File length: 6320 byte(s)

Initial commit of the proteinstructure package. Contains classes to use pdb protein structures