[Biopython-dev] [Bug 1950] New: addition of element, SSBOND, OBSLTE, CAVEAT fields

bugzilla-daemon at portal.open-bio.org bugzilla-daemon at portal.open-bio.org
Mon Feb 13 19:15:14 EST 2006


           Summary: addition of element, SSBOND, OBSLTE, CAVEAT fields
           Product: Biopython
           Version: Not Applicable
          Platform: All
        OS/Version: All
            Status: NEW
          Severity: enhancement
          Priority: P2
         Component: Main Distribution
        AssignedTo: biopython-dev at biopython.org
        ReportedBy: edmonds at fas.harvard.edu

I find it useful to be able to sort atoms according to their element (H, C, N,
O, etc), which is contained in columns 77-78 of the PDB, so I have added it to
the parsing of the PDB, and have added get_element to Atom.  

I did not add it to the MMCIFParser because I don't know anything about MMCIFs
and don't know if it's even applicable for MMCIFs.  

I also added trivial SSBOND, OBSLTE, and CAVEAT parsing to the PDB header

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