Revision 524 - Directory Listing
Modified Tue Jan 29 12:03:32 2008 UTC (16 years, 8 months ago) by duarte

Fixed reading od PDB files. We hope now to be catching all possible errors present in original PDB files, plus we read correctly CASP TS files:
- now reading (and requiring) TARGET record for CASP TS files
- now we always have (and require) a sequence (possibly with ? or X) for all cases: PdbfilePdb, CaspRRFileRIGraph, FileRIGraph.
- in PDB files we throw format exceptions for: insertion codes, residue numbers <=0, non-ascending order of residue numbers in atom lines, when residues of SEQRES seq and ATOM seq don't match. In addition we warn when starting residue in ATOM lines is >100
- we allow PDB files without a HEADER, i.e. only ATOM lines
New fields in Pdb for CAPS identifiers: passed all the way down to RIGraphs in getGraph()

Revision 523 - Directory Listing
Added Thu Jan 24 16:18:16 2008 UTC (16 years, 8 months ago) by stehr

Added new package vecmath with classes Tuple3d, Point3d, Vector3d, Point3i to replace javax.vecmath while maintaining the same interface. The idea is that our package can be used by simply changing the import statement to remove the dependency on java3d.