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Revisions №59805

branch: master 「№59805」
Commited by: Andrew Leaver-Fay
GitHub commit link: 「ea5610feafd9eaf5」 「№2661」
Difference from previous tested commit:  code diff
Commit date: 2017-10-24 13:14:50

Merge pull request #2661 from RosettaCommons/aleaverfay/add_no_sc_to_ia_option Avoid shape complementarity calculation due to crash in InterfaceAnalyzer Shape-complementarity score is reliably crashing on my cluster, but works fine on my workstation, so I am adding a short circuit in the interface analyzer: put "-compute_interface_sc false" on your command line to skip that calculation. I'm trying to debug the problem, but valgrind is turning up jack squat. In the mean time, I need InterfaceAnalyzer to work.

Vikram K. Mulligan 4 years
Note that there are known issues with shape complementarity and metals (or other rarer atom types). As I recall, the shape complementarity filter implements its own definition of atom types, rather than using the Rosetta ones. Could this be related to the failure?