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Revisions №59768

branch: master 「№59768」
Commited by: Andrew Leaver-Fay
GitHub commit link: 「48fbbfcf97521d5d」 「№2595」
Difference from previous tested commit:  code diff
Commit date: 2017-10-13 16:29:20

Merge pull request #2595 from RosettaCommons/aleaverfay/pdb_conect_performance_bugfix JD3 bottleneck / PDB output taking too long Attempting to fix a pretty serious performance bug in PDB writing that spent O(N^2) time trying to determine the CONECT records. This impacts JD3 protocols quite heavily in that it creates a bottleneck on node 0 when outputting the results from other nodes. Fixing a few bugs in the way CONECT records were written out at the end of PDBs. For this reason, lots of integration tests change, but not coordinates of structures written out -- only the record of which atoms are bonded to which other atoms.