A tool for CCTBX/Phenix to extract ligands and calculate map-model cross correlation. It will optionally write out density maps and models for each ligand
Usage: phenix.ligands_cc <model_file> <map_file> resolution =
Optional command line arguments:
write_ligand_files = False
.type = bool
.help = Whether to write the map and model for each ligand
output_directory = None
.type = str
.help = Optional directory to write ligand maps and models
include_only_resnames = None
.type = str
.multiple = True
.help = Only extract ligands with this residue name
include_resnames = None
.type = str
.multiple = True
.help = Do extract ligands with this residue name
exclude_resnames = None
.type = str
.multiple = True
.help = Do NOT extract ligands with this residue name
include_residue_classes = None
.type = str
.multiple = True
.help = Do extract ligands of this residue class
exclude_residue_classes = None
.type = str
.multiple = True
.help = Do NOT extract ligands of this residue class