Difference between revisions of "Runscript for foldx"
From Bioinformatikpedia
| Line 16: | Line 16: | ||
<metal>-CRYSTAL;<br> |
<metal>-CRYSTAL;<br> |
||
<VdWDesign>2;<br> |
<VdWDesign>2;<br> |
||
| − | <OutPDB> |
+ | <OutPDB>false;<br> |
<pdb_hydrogens>false;<br> |
<pdb_hydrogens>false;<br> |
||
<END>#;<br> |
<END>#;<br> |
||
Latest revision as of 16:30, 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>false;
<pdb_hydrogens>false;
<END>#;
<JOBEND>#;
<ENDFILE>#;
