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Revisions №58139

branch: master 「№58139」
Commited by: Rocco Moretti
GitHub commit link: 「b60318904de3a2e7」 「№735」
Difference from previous tested commit:  code diff
Commit date: 2015-09-10 11:42:26

Merge pull request #735 from RosettaCommons/roccomoretti/gasteiger_SO4 Gasteiger atom typing updates We weren't appropriately handling some of the "stranger" ways of specifying certain functional groups. Add fixes and unit tests, and add an "allow_unknown" option for Gasteiger atom typing, so it doesn't crash on difficult typing. Integration test changes in "carbohydrates" expected, as we're now special-casing the N-terminus of amino acids to get the correct typing.

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