skills/bioskills/bio-chemoinformatics-pose-validation/scripts/validate_poses.py

• run_posebusters · function · L9-L24 — def run_posebusters(pred_sdf, receptor_pdb, ref_sdf=None)
• ligand_strain_mmff · function · L27-L92 — def ligand_strain_mmff(docked_sdf, n_ref_conf=20)
• pose_qc_pipeline · function · L95-L108 — def pose_qc_pipeline(docked_sdf, receptor_pdb, strain_cutoff=None, ref_sdf=None)