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Revisions №57723

branch: master 「№57723」
Commited by: jkleman
GitHub commit link: 「1f1529561652af48」 「№399」
Difference from previous tested commit:  code diff
Commit date: 2015-03-23 11:42:33

Merge pull request #399 from RosettaCommons/jkleman/jkleman/mp_updates MP updates: * rewrote and extensively tested SpanningTopology constructor from PDB * it is vastly improved and recognizes spans better * I tested on 34 previously broken cases, except a handful they work now * small problems that still occur are due to Dssp recognizing loops instead of secondary structure elements * a difference now is that spans that might not completely span the membrane might be recognized as "TMspans" * also, loop residues (except up to 3 residue loops bridging spans) are now excluded from the spans (and there seem to be quite a couple in the structures that I looked at) * this impacts the spanfile_from_pdb app!!! * added unit tests for this constructor * added unit test for average_antiparallel_embeddings in MembraneGeometryUtil

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