skodapetr / autodock-vina Goto Github PK
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License: Apache License 2.0
After executing
vina --config conf.txt --log logVenlafaxine.txt
I 'm getting the error:
Configuration file parse error: unrecognized line in ' '
Apparently, Vina is not able to connect the files. However, this is my conf.txt file:
receptor= S1S2_02_c.pdbqt
ligand= venlafaxine3D_CID_5656.pdbqt
center_x= 4.749
center_y= -11.371
center_z= -45.264
size_x= 54
size_y= 48
size_z= 42
out= vina_outVenlafaxine.pdbqt
log= logVenlafaxine.txt
exhaustiveness= 8
And these are my pdbqt files in the same folder as conf.txt
venlafaxine3D_CID_5656.pdbqt
S1S2_02_c.pdbqt
However, if I parse the args in the command line it executes well:
vina --receptor S1S2_02_c.pdbqt --ligand venlafaxine3D_CID_5656.pdbqt --center_x 4.749 --center_y -11.371 --center_z -45.264 --size_x 54 --size_y 48 --size_z 42 --out vina_outVenlafaxine.pdbqt --log logVenlafaxine.txt
where is build/linux
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