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Revisions №59107

branch: master 「№59107」
Commited by: Rocco Moretti
GitHub commit link: 「23da6359cabc1b03」 「№1809」
Difference from previous tested commit:  code diff
Commit date: 2016-11-28 10:52:11

Merge pull request #1809 from RosettaCommons/roccomoretti/fill_missing_atoms_B Fill missing atoms updates/fixes #2 This is an extension of pull request #1789 That PR added functionality to Residue::fill_missing_atoms() to extend the cases in which it can build residues. This PR converts Conformation::fill_missing_atoms() to use Residue::fill_missing_atoms(). This should (hopefully) fix most/all of the "fill missing atoms" from the all-PDB read-in tests. Integration test changes expected, due to slight differences in coordinate building and trajectory changes. (Checked locally with debug-mode builds.) Tracer changes due to extra debugging lines. Also, fewer "missing atom" lines, as we no longer double-report. Non-trivial changes in AnchorFinder, PDB_diagnostic, antibody_numbering_converter and identify_cdr_clusters due to slight differences in how dangling connections are treated. Nucleic acid based integration tests also show non-trivial changes, but in what I think is a positive direction: missing phosphates are no longer built from ideal, but are build "backwards" from the rest of the residue.