Created
June 21, 2012 16:18
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Preparing sequences for SCWRL and then calling SCWRL on them
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#!/bin/bash | |
for i in R178H R178C P183L D207E S293I F434L L451V E482K L484Q E506D; do | |
perl prepForSQRWL2.pl -i 2gjxA_sequence -mut $i > SCWRL_$i.sequence | |
done | |
for i in R178H R178C P183L D207E S293I F434L L451V E482K L484Q E506D; do | |
/opt/SS12-Practical/scwrl4/Scwrl4 -s SCWRL_$i.sequence -i ../2gjxA_secondD.pdb -o SCWRL_$i.pdb &>> SCWRL.log | |
done |
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
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#!/bin/bash | |
for i in R178H R178C P182L D207E S293I F434L L451V E482K L484Q E506D; do | |
perl prepForSQRWL2.pl -i 2gjxA_sequence -mut $i > SCWRL_$i.sequence | |
done | |
for i in R178H R178C P182L D207E S293I F434L L451V E482K L484Q E506D; do | |
/opt/SS12-Practical/scwrl4/Scwrl4 -s SCWRL_$i.sequence -i ../2gjxA_secondD.pdb -o SCWRL_$i.pdb &>> SCWRL.log | |
done |
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prepareForSQRWL2.pl can be found here: https://gist.github.com/2966806