Ligand-receptor Interaction Pharmacophores ========================================== The script *gen_ia_ph4s.py* generates pharmacophores describing the interactions between a given receptor structure and a set of ligand molecules. **Synopsis** :program:`python` *gen_ia_ph4s.py* [-h] -r <file> -l <file> -o <file> [-s <three-letter code> [<three-letter code> ...]] [-q] [-x] **Mandatory options** -r <file> Receptor structure input file (\*.mol2, \*.pdb, \*.mmtf, \*.cif, \*.mmcif) -l <file> Ligand structure input file (\*.sdf, \*.mol2, \*.cdf) -o <file> Pharmacophore output file (\*.pml, \*.cdf) **Other options** -h, --help Show help message and exit **-s <three-letter code> [<three-letter code> ...]** Whitespace separated list of PDB three-letter codes specifying residues to remove from the receptor structure (e.g. an existing ligand) -q Disable progress output (default: false) -x Generate exclusion volumes (default: false) **Code** .. literalinclude:: /downloads/gen_ia_ph4s.py :language: python :linenos: :lines: 21- :download:`Download source file</downloads/gen_ia_ph4s.py>`