MantisBT - Rosetta
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0000089Rosetta[All Projects] Input Handlingpublic2012-08-27 15:522012-08-29 22:34
delucasl 
delucasl 
lowminoralways
resolvedfixed 
All platformsAnyAny
All 
 
rosetta_scripts
rosetta_scripts.default.linuxgccrelease @rescore.options -in:file:l list.relax_pdbs_rescore.txt -nstruct 1 -in:file:extra_res_fa 3rzeA.params -parser:protocol rescore.xml -database /sb/meiler/rosetta/rosetta-3.4/rosetta_database
Confirmed As Bug
50879
0000089: Incorrect chain in InterfaceScoreCalculator results in incomprehensible error message



The Mover was instantiated using the options:

<InterfaceScoreCalculator chains=X name=add_scores native=/home/dongen/for/philine/gpcr_benchmark/3rzeA_ligand.pdb scorefxn=hard_rep/>

but in the native protein, Chain X does not exist. The result is the error
ERROR: seqpos <= size()
ERROR:: Exit from: src/core/conformation/Conformation.hh line: 289

A debug log is found below

-----------------------------
protocols.rosetta_scripts.ParsedProtocol: =======================BEGIN MOVER InterfaceScoreCalculator=======================
{
rosetta_scripts.mysql.linuxgccdebug: src/protocols/ligand_docking/InterfaceScoreCalculator.cc:193: void protocols::ligand_docking::InterfaceScoreCalculator::append_ligand_docking_scores(const core::pose::Pose&, protocols::jd2::JobOP) const: Assertion `core::pose::has_chain(chain, *native_)' failed.

Program received signal SIGABRT, Aborted.
0x0000003dbce328a5 in raise () from /lib64/libc.so.6
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Issue History
2012-08-27 15:52delucaslNew Issue
2012-08-27 15:52delucaslStatusnew => assigned
2012-08-27 15:52delucaslAssigned To => delucasl
2012-08-29 22:34delucaslFixed in SVN Version => 50879
2012-08-29 22:34delucaslStatusassigned => resolved
2012-08-29 22:34delucaslResolutionopen => fixed

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