Difference between revisions of "Runscript for foldx"
From Bioinformatikpedia
(Created page with "'''runscript''' <br><br> <TITLE>FOLDX_runscript;<br> <JOBSTART>#;<br> <PDBS>#;<br> <BATCH>run.txt;<br> <COMMANDS>FOLDX_commandfile;<br> <Stability>list.txt;<br> <END>#;<br> <OPTI…") |
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<metal>-CRYSTAL;<br> |
<metal>-CRYSTAL;<br> |
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<VdWDesign>2;<br> |
<VdWDesign>2;<br> |
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| − | <OutPDB> |
+ | <OutPDB>true;<br> |
<pdb_hydrogens>false;<br> |
<pdb_hydrogens>false;<br> |
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<END>#;<br> |
<END>#;<br> |
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Revision as of 16:11, 1 July 2011
runscript
<TITLE>FOLDX_runscript;
<JOBSTART>#;
<PDBS>#;
<BATCH>run.txt;
<COMMANDS>FOLDX_commandfile;
<Stability>list.txt;
<END>#;
<OPTIONS>FOLDX_optionfile;
<Temperature>298;
<R>#;
<pH>5.5;
<IonStrength>0.050;
<water>-CRYSTAL;
<metal>-CRYSTAL;
<VdWDesign>2;
<OutPDB>true;
<pdb_hydrogens>false;
<END>#;
<JOBEND>#;
<ENDFILE>#;
