#!/bin/bash
export OMP_THREAD_LIMIT=18

# Arg1 is a ligand name like 1OIU-N76

tail +2 testlig-$1.mol2 | sed '/MOL_PROPERTY/Q' > testlig-fix-$1.mol2

C:/Users/ann/.conda/envs/my-rdkit-env/Scripts/mk_prepare_ligand.py -i testlig-fix-$1.mol2 -o testlig-$1.pdbqt
