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#121 TER records before residues like MSE

closed
nobody
None
5
2012-03-30
2012-03-28
Thomas Holder
No

PyMOL puts TER records before HETATM residues, even if they are part of the polymer like MSE residues.

Patch attached which considers (ai->flags & cAtomFlag_polymer) instead of (ai->hetatm).

Discussion

  • Thomas Holder

    Thomas Holder - 2012-03-28
     
    Selector-TER.patch

  • Blaine Bell

    Blaine Bell - 2012-03-30

    Thomas, can you provide a test case (or cases?) I need a case that will reproduce the problem, and with your fix, corrects it.

    Thanks

     

  • Thomas Holder

    Thomas Holder - 2012-03-30

    Test case:

    fetch 2x19, async=0
    save broken.pdb, chain B and resi 49-51

    The "broken.pdb" file will have a TER record between 49 and 50, which is wrong.

     

  • Blaine Bell

    Blaine Bell - 2012-03-30
    • status: open --> closed
     

  • Blaine Bell

    Blaine Bell - 2012-03-30

    Patch was applied to SVN repository, commited revision 3994. Thanks Thomas for the patch!

     

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