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file cluster_to_vina_cluster.R 4050 -rw-r--r--
file clusterfilemaker.R 3379 -rw-r--r--
file clusterfinder_Auto.R 4980 -rw-r--r--
file draw_mol.py 383 -rw-r--r--
file envelopesmaker.R 1741 -rw-r--r--
file environment.yml 1644 -rw-r--r--
file glgfilemaker.R 969 -rw-r--r--
file gpffilemaker.R 4258 -rw-r--r--
file includeAtom3.sh 2736 -rwxr-xr-x
file parallel_launch.sh 2021 -rwxr-xr-x
file pdbcenter_npts_finder.R 2750 -rw-r--r--
file pdbqtcorrector.R 3078 -rw-r--r--
file pdbqtcorrector2step.R 30546 -rw-r--r--
file preparePDB2PQR_plidflow.sh 27 -rwxr-xr-x
file receptor_atm_types.txt 36 -rw-r--r--
file requirements.txt 1374 -rw-r--r--
file scrapPubChem.py 2122 -rw-r--r--
file separateChain.sh 1007 -rwxr-xr-x
file table 433 -rw-r--r--
file templateenvelopsizes.txt 234 -rw-r--r--
file templatefillouts1.txt 1012 -rw-r--r--
file templatefillouts1_1_8.txt 8088 -rw-r--r--
file templatefillouts1_ALLFILLS.txt 10170 -rw-r--r--
file templatefillouts1_OKsoloout1.txt 1012 -rw-r--r--
file vinafilemaker.R 1412 -rw-r--r--
file vinafilemarkerclusters.R 1585 -rw-r--r--
file vinaoutpututility.sh 126 -rwxr-xr-x
file wrapperDraw.py 247 -rwxr-xr-x