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#119 alignment objects from "super" do not contain N atoms

closed-fixed
nobody
None
5
2012-11-13
2012-03-16
No

steps to reproduce:

PyMOL>fetch 1ake 4ake, async=0
PyMOL>super 1ake and chain A, 4ake and chain A, object=aln
PyMOL>count_atoms aln and name N
count_atoms: 0 atoms

Tested with PyMOL 1.1r1 to 1.5.0.2

Discussion

  • Thomas Holder

    Thomas Holder - 2012-08-30

    The problem is a forward search over atoms in SelectorCreateAlignments. This works fine if a residue is represented by its first atom, but "super" passes the CA atom as representative, which is sorted after the N atom.

    Patch:
    https://github.com/speleo3/pymol/commit/fa53f1ad7ec61aec28aabcbcc5043f94c4207153

     
  • Thomas Holder

    Thomas Holder - 2012-11-13
    • status: open --> closed-fixed
     
  • Thomas Holder

    Thomas Holder - 2012-11-13

    fixed in rev 4006

     

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