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-rw-r--r--convert-smile.sh728logplain
-rw-r--r--dock-and-score.sh1096logplain
-rw-r--r--get-best.py949logplain
-rw-r--r--get_dock_score.py1133logplain
-rwxr-xr-xmain.sh4217logplain
-rw-r--r--main_local.sh4029logplain
-rw-r--r--makeReport.py11926logplain
-rw-r--r--quick-ligand-protein.py2413logplain
-rw-r--r--report.sh1893logplain
-rw-r--r--test.sh1351logplain