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Consider final ddG_tot file in the main script
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lafita authored Apr 13, 2018
1 parent b84a0c0 commit 3aa48f9
Showing 1 changed file with 2 additions and 1 deletion.
3 changes: 2 additions & 1 deletion tadoss
Original file line number Diff line number Diff line change
Expand Up @@ -89,6 +89,7 @@ path=`dirname $0`
rm ${domain}-dG_cut.pdb
rm ${domain}-dG_cut.tsv
rm ${domain}-dG_join.tsv
rm ${domain}-ddG_tot.tsv
} &> /dev/null


Expand Down Expand Up @@ -135,7 +136,7 @@ echo "Step 4 - calculate the alchemical ddG of the domain"
python2.7 ${path}/tadoss.py ${domain} tmp/${domain}_hadded.pdb -w
} &> log/${domain}_4-ddG.log

if [ ! -f ${domain}-dG_join.tsv ]; then
if [ ! -f ${domain}-ddG_tot.tsv ]; then
echo "Failed: see log/${domain}_4-ddG.log"
exit 1
fi
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