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SSX-PepT Se: Difference between revisions
→decide which clusters one would take for structure solution
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== decide which clusters one would take for structure solution == | == decide which clusters one would take for structure solution == | ||
Here: 1. and 4. cluster | Here: 1. and 4. cluster | ||
cp | cp XSCALE.INP XSCALE_old.INP | ||
cp | cp XSCALE.LP XSCALE_old.LP | ||
awk '{ one = $1 ; getline ; print one " " $7 " " $8;getline}' XSCALE.1.INP |grep 'INPUT_FILE' >temp | awk '{ one = $1 ; getline ; print one " " $7 " " $8;getline}' XSCALE.1.INP |grep 'INPUT_FILE' >temp | ||