MantisBT - Rosetta
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0000312Rosetta[All Projects] Crashpublic2013-11-19 10:172013-11-19 10:17
rmoretti 
 
normalminoralways
newopen 
 
 
CstfileToTheozymePDB
../../../main/source/bin/CstfileToTheozymePDB.linuxgccdebug -extra_res_fa rosetta_inputs/1n1.params -match:geometric_constraint_file rosetta_inputs/mocktim.cst
Confirmed As Bug
0000312: CstfileToTheozymePDB results in segmentation fault for secondary constraints.
If you pass a constraint file with a secondary constraint with less than six degrees of freedom, CstfileToTheozymePDB can segfault.

Although CstfileToTheozymePDB needs to have all six degrees of freedom specified, it should give a useful error message to that effect and gracefully exit, rather than segfaulting.
Go to Rosetta/demos/public/enzyme_design

Run

../../../main/source/bin/CstfileToTheozymePDB.linuxgccdebug -extra_res_fa rosetta_inputs/1n1.params -match:geometric_constraint_file rosetta_inputs/mocktim.cst

Note that this is the full mocktim.cst constraint file, rather than the cut down mocktim_first_2interactions_example.cst constraint file that the demo normally passes to CstfileToTheozymePDB
Thanks to Guanlin Li from the November 2013 Rosetta Workshop at Vanderbilt for finding this bug.
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Issue History
2013-11-19 10:17rmorettiNew Issue

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