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Usage information ~
Input:
-r [ --receptor ] arg rigid part of the receptor (PDB)
-l [ --ligand ] arg ligand(xyz)
-m [ --minimzation ] arg BFGS/LBFGS/FIRE
-s [ --steps ] arg (optional) default: 1000
-o [ --output ] arg (optional) default: default_log.txt
-v [ --verbose ] arg (option) True/False default: False
Information:
-h [ --help ] display usage summary