Identify contacts of a target structure with one or more ligands.
Contacting atoms (or extended subset of atoms, such as residues) are
outputted in PDB file format.
Parameters:
target – target PDB identifier or filename
ligand – ligand PDB identifier(s) or filename(s)
select – atom selection string for target structure
radius – contact radius (Å), default is 4.0
extend – output same 'residue', 'chain', or 'segment' along
with contacting atoms
prefix – prefix for output file, default is target filename
suffix – output filename suffix, default is ligand filename