MantisBT - Rosetta
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0000315Rosetta[All Projects] Crashpublic2013-12-04 11:042013-12-04 11:13
jadolfbr 
 
normalminoralways
newopen 
All platformsAnyAny
Trunk 
 
InterfaceAnalyzer
InterfaceAnalyzer.linuxclangrelease -database ../database -s 2J88_LA.pdb -no_output -tracer_data_print true
0000315: InterfaceAnalyzerMover/InterfaceAnalyzer app segfaults when waters are present
IAM should better deal with water molecules in an interface or elsewhere. At least not segfaulting, preferably identifying interface waters and giving some extra information pertaining to them.
Run IAM/InterfaceAnalyzer app with a PDB that contains water.
Confirmed for multichain and two-chain constructors
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Issue History
2013-12-04 11:04jadolfbrNew Issue
2013-12-04 11:13jadolfbrNote Added: 0000322

Notes
(0000322)
jadolfbr   
2013-12-04 11:13   
Note that talaris2013 scorefunction can handle waters, as can SASA calculations.