MantisBT - Rosetta
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0000284Rosetta[All Projects] Input Handlingpublic2013-06-19 10:122013-06-19 10:12
ralford 
 
normalminoralways
newopen 
All platformsAnyAny
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dockingprotocol
See steps to reproduce***
Confirmed As Bug
0000284: Docking Protocol Segfaults when Passed Symmetry Flags
in the user documentation, it is defined that the Docking protocol does not support symmetry (symmetry definition files, etc) and to use the symmetric docking protocol instead. However, if in error, symmetry options are passed to Docking, Docking will throw an error and segfault. Docking should just throw an error and not crash in that way.
PDB: 1afo.pdb (Glycophorin A)

Run Command: docking_protocol.macosgccrelease -database /path/to/db @flags

Contents of Flags File:
# Input Option Group
-s 1afoA_relaxed.pdb
-run:constant_seed
-out:nstruct 1
#
# Docking Options
-docking:partners A_B
-dock_pert 3 8
-run:max_retry_job 10
-docking:sc_min
-packing:ex1
-packing:ex2aro
#
# Symmetry Options
-symmetry:symmetry_definition ../1afo.c2.symm
-symmetry:initialize_rigid_body_dofs
-symmetry:symmetric_rmsd
#
# Add scoring options
-evaluation:gdtmm
-evaluation:rmsd
-overwrite
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2013-06-19 10:12ralfordNew Issue

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