tanu/LSHTM_analysis
1
0
Fork 0
Code Issues Pull requests Releases Wiki Activity

various changes

Browse source
This commit is contained in:
Tanushree Tunstall 2021-02-09 14:42:44 +00:00
parent 80e00b0dfa
commit 93f6707b8f
12 changed files with 159 additions and 231 deletions
Download patch file Download diff file Expand all files Collapse all files

8
foldx/mutrenamefiles.sh
View file

@ -2,7 +2,7 @@ PDB=$1
n=$2
OUTDIR=$3
cd ${OUTDIR}
logger "Running mutrenamefiles with PDB: ${PDB} n: ${n} OUTDIR: ${OUTDIR}"
cp Matrix_Hbonds_${PDB}_Repair_${n}_PN.fxout Matrix_Hbonds_${PDB}_Repair_${n}_PN.txt
sed -n '5,190p' Matrix_Hbonds_${PDB}_Repair_${n}_PN.fxout > Matrix_Hbonds_RR_${PDB}_Repair_${n}_PN.txt
sed -n '194,379p' Matrix_Hbonds_${PDB}_Repair_${n}_PN.fxout > Matrix_Hbonds_MM_${PDB}_Repair_${n}_PN.txt
@ -61,9 +61,3 @@ cp InteractingResidues_Volumetric_${PDB}_Repair_${n}_PN.fxout InteractingResidue
sed -i '1,5d' InteractingResidues_Volumetric_${PDB}_Repair_${n}_PN.txt
cp InteractingResidues_Disulfide_${PDB}_Repair_${n}_PN.fxout InteractingResidues_Disulfide_${PDB}_Repair_${n}_PN.txt
sed -i '1,5d' InteractingResidues_Disulfide_${PDB}_Repair_${n}_PN.txt