I would like to use optimized vina parameters, I wrote one file config.py like that:
"energy_range = 4",
"seed = -12021809",
"weight_repulsion = 0.64"
anyway autogrow returns:
Use the -h tag to get detailed help regarding program usage.
Traceback (most recent call last):
File "../Downloads/programas/autogrow4-4.0.3/RunAutogrow.py", line 657, in <module>
vars, printout = load_in_commandline_parameters(INPUTS)
File "/home/lpinho/Downloads/programas/autogrow4-4.0.3/autogrow/user_vars.py", line 1004, in load_in_commandline_parameters
PATH TO THE Custom DOCKING SCRIPT"
ValueError: TO USE Custom DOCKING OPTION, MUST SPECIFY THE PATH TO THE Custom DOCKING SCRIPT
Hi Luciano. Much thanks for your interest in AutoGrow4. Looks like you might need to use the ‘custom_docking_script’ parameter. Here’s a description:
The name and path to a python script that is used to dock ligands. This is required for Custom docking choices. Must be a list of strings [name_custom_conversion_class, Path/to/name_custom_conversion_class.py]