bash scripting example
Find a file
2019-09-19 16:30:25 +09:00
data rm mol name prefix in data/actives.mol2 2019-09-19 16:20:45 +09:00
README.md added example in README 2019-09-19 16:30:25 +09:00
rename.sh will work whatever the name prefix of all molecules in one of the files 2019-09-19 16:21:41 +09:00

DUDE_rename_example

bash scripting example

Use like this:

./rename.sh data/actives.mol2 data/decoys.mol2 data/active_decoys.mol2