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Support for secondary structure and various PDBML enhancements
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@AndrewCRMartin AndrewCRMartin released this 04 Aug 09:44
· 109 commits to master since this release
V3.4
ede7d9b

The main features of this release are improved PDBML format support (particularly SEQRES equivalent support), support for defining atom types and future support for secondary structure. There are also some small bug fixes and general enhancements:

  • Update unit tests for pdb->atomType to pdb->atomInfo change.
  • Improved MAKERESID macro
  • Added '.' to MAKERESID()
  • pdb.h added PDBEXTRASPTR() and RESIDMATCH()
  • Added atomtype.c Added BuildConect.c/blIsConected()
  • hbond.c - Added blSetMaxProteinHBondDADistance(), blListAllHBonds() hbond.h - Added HBLIST

  • Added some comments to pdb.h about structure size

  • Renamed blDistPtVect() to blDistPtLine() and added deprecation

  • Added PDB.secstr field

  • Fixed return value when run without XML_SUPPORT. This didn't give any error message on Linux, but did on Mac

  • Added output of pdbml-formatted SEQRES records.

  • Added part distribution information

  • Split ParseHeaderPDBML() into smaller functions.
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