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Unexpected Error with RosettaCM -

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Unexpected Error with RosettaCM -
#1

Hi all,

I am hoping to get some insight, my RosettaCM is crashing for an issue I haven't seen before. See below:

Terry

Error:

 

core.scoring.ScoreFunctionFactory: SCOREFUNCTION: stage3.wts

score_typeextract failed: fa_plane

ERROR: bad line in file stage3.wts:fa_plane 0

ERROR:: Exit from: src/core/scoring/ScoreFunction.cc line: 458

BACKTRACE:

[0x5e10498]

[0x459a6ec]

[0x459aa36]

[0x459ab31]

[0x45b4083]

[0x45b4dca]

[0x38f6a19]

[0x38fe637]

[0x39461b1]

[0x3947691]

[0x39ead68]

[0x41181b]

[0x63080e4]

[0x627cfd]

Error: [ ERROR ] ERROR: Exception caught by JobDistributor while trying to get pose from job 'S_0001'

Error: [ ERROR ]

 

File: src/core/scoring/ScoreFunction.cc:458

[ ERROR ] UtilityExitException

ERROR: bad line in file stage3.wts:fa_plane 0

 

 

Error: [ ERROR ]

Error: [ ERROR ] Treating failure as bad input; canceling similar jobs

protocols.jd2.FileSystemJobDistributor: job failed, reporting bad input; other jobs of same input will be canceled: S_0001

protocols.jd2.JobDistributor: no more batches to process...

protocols.jd2.JobDistributor: 5 jobs considered, 1 jobs attempted in 5 seconds

Error: [ ERROR ] Exception caught by rosetta_scripts application:

 

File: src/protocols/jd2/JobDistributor.cc:328

1 jobs failed; check output for error messages

Error: [ ERROR ]

Submission script:

/home/rosetta/main/source/bin/rosetta_scripts.static.linuxgccrelease -database /home/rosetta/main/database @flags -in:file:fasta NAME.fasta -parser:protocol hybridize3.xml -nstruct 5 -suffix #-parser::output_schema output1.txt

XML:

<ROSETTASCRIPTS>

<SCOREFXNS>

 <ScoreFunction name="r15" weights="ref2015"/>

    <ScoreFunction name="stage1" weights="score3" symmetric="0">

        <Reweight scoretype="atom_pair_constraint" weight="0.5" />

    </ScoreFunction>

    <ScoreFunction name="stage2" weights="score4_smooth_cart" symmetric="0">

        <Reweight scoretype="atom_pair_constraint" weight="0.5" />

    </ScoreFunction>    

    <ScoreFunction name="fullatom" weights="ref2015_cart" symmetric="0" >

        <Reweight scoretype="atom_pair_constraint" weight="0.1"/>

    </ScoreFunction>

</SCOREFXNS>

<MOVERS>

    <Hybridize name="hybridize" stage1_scorefxn="stage1" stage2_scorefxn="stage2" fa_scorefxn="fullatom" batch="1" stage1_increase_cycles="1.0" stage2_increase_cycles="1.0">

  <Template pdb="/home/terry/homology/Adrian1/templates/XXXX_0001.pdb.pdb" cst_file="AUTO" weight="1.0" /> 

  <Template pdb="/home/terry/homology/Adrian1/templates/XXXX_0001.pdb.pdb" cst_file="AUTO" weight="0.5" />

  <Template pdb="/home/terry/homology/Adrian1/templates/XXXX_0001.pdb.pdb" cst_file="AUTO" weight="0.5" />

  <Template pdb="/home/terry/homology/Adrian1/templates/XXXX_0001.pdb.pdb" cst_file="AUTO" weight="0.4" />

  <Template pdb="/home/terry/homology/Adrian1/templates/XXXX_0001.pdb.pdb" cst_file="AUTO" weight="0.4" />

  <Template pdb="/home/terry/homology/Adrian1/templates/XXXX_0001.pdb.pdb" cst_file="AUTO" weight="0.3" />

  <Template pdb="/home/terry/homology/Adrian1/templates/XXXX_0001.pdb.pdb" cst_file="AUTO" weight="0.3" />

  <Template pdb="/home/terry/homology/Adrian1/templates/XXX_0001.pdb.pdb" cst_file="AUTO" weight="0.2" />

  <Template pdb="/home/terry/homology/Adrian1/templates/XXXX_0001.pdb.pdb" cst_file="AUTO" weight="0.2" />

  <Template pdb="/home/terry/homology/Adrian1/templates/XXXX_0001.pdb.pdb" cst_file="AUTO" weight="0.1" />

    </Hybridize>

<FastRelax name="relax" scorefxn="r15"  />

</MOVERS>

<PROTOCOLS>

    <Add mover="hybridize"/>

    <Add mover="relax"/>

</PROTOCOLS>

</ROSETTASCRIPTS>

Post Situation: 
Fri, 2019-02-22 14:26
terry

The fa_plane term wasn't really ever used -- as you can see, it's set to zero in the input weights file. As such, it was removed at some point, which means that weights files including it now give an error.

Feel free to delete that line from the weights file. (In general, a weight of zero is the same as just omitting the term altogether.)

Fri, 2019-03-29 12:25
rmoretti