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Calculates scores of a pose e.g. a ligand-protein interface taking into account (or not) enzdes style cst_energy. Residues can be accessed by res_num/pdb_num or their constraint id. One and only one of res/pdb_num, cstid, and whole_pose tags can be specified. Energy should be less than energy_cutoff to pass.
If whole_pose=0 and none of res_num/pdb_num or cstid are specified, EnzScore will attempt to automatically determine the ligand residue and calculate the score for that residue. This will work with simple poses, for example when dealing with a single polypeptide chain and a single ligand connected by the last jump in the pose. Multiple chains, multiple ligands, symmetry, etc. may break this functionality, so it is strongly recommended to specify one of whole_pose, res/pdb_num, or cstid whenever possible.
<EnzScore name="(&string)" scorefxn="(&string, score12)" whole_pose="(&bool,0)" score_type="(&string)" res_num/pdb_num="(see convention)" cstid="(&string)" energy_cutoff="(0.0 &float)"/>