Last active
September 23, 2019 09:40
-
-
Save filipsPL/5aea99245ba903d694ae70aa0c107d61 to your computer and use it in GitHub Desktop.
For all *.logs files in the directory: extracts scores and compound names from dock6 docking logs and puts it to the simple csv file, with the name of the input file.
This file contains hidden or 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.
Learn more about bidirectional Unicode characters
| for f in *.logs; | |
| do echo $f; | |
| echo "compound,score" > `basename $f .logs`.csv; | |
| cat $f | egrep "Molecule:|Grid_Score" | tr -s " " | sed -e ':a;N;$!ba;s/\n Grid_Score: / /g' -e 's/Molecule: //g' | \ | |
| tr " " "," >> `basename $f .logs`.csv; | |
| done |
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment