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#!/usr/bin/python3
import argparse
import pymol2
import re
#################
# Configuration #
#################
version = "1.0"
desc_text = "PyMol Quick Visualtion " + version
parser = argparse.ArgumentParser(description=desc_text)
parser.add_argument("-p", "--protein", help="Path to protein file")
parser.add_argument("-l", "--ligand", help="Path to ligand_out file")
args = parser.parse_args()
def li(s):
# log.info(s)
None
if args.protein == None:
print("Error: Please specify protein file")
exit(1)
if args.ligand == None:
print("Error: Please specify ligand file")
exit(1)
protein = args.protein
ligand = args.ligand
session = pymol2.PyMOL()
session.start()
cmd = session.cmd
cmd.load(protein, "pro")
cmd.load(ligand, "lig")
cmd.split_states("lig")
# fname = re.sub(r'^.*?/', '', protein.replace(".pdbqt","")) + "-" + re.sub(r'^.*?/', '', ligand.replace(".pdbqt","")) + ".pdb"
cmd.save("best.pdb", "pro lig_0001")
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