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Revisions №56824

branch: master 「№56824」
Commited by: Rocco Moretti
GitHub commit link: 「8ff3a703895a8dfb」
Difference from previous tested commit:  code diff
Commit date: 2014-05-14 14:22:47

Allow automorphic_rmsd to do comparisons between different name3s Previously, automorphic_rmsd was written such that it assumed that the two residues were of the same type -- or at least "close enough". This meant that it checked the name3 for compatibility. This change opens things up such that you can do automorphic_rmsd between two different name3s, as long as they're equivalent in structure. A complication is that HIS has to be special cased, as the "naive" matching (atom types and bonding pattern match) means that HIS and HIS_D tautomers don't qualify for automorphisms anymore. * No test changes observed, except for things that are failing on the test server.

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