Skip to content
Snippets Groups Projects
Verified Commit 9c03a412 authored by Xavier Robin's avatar Xavier Robin
Browse files

feat: SCHWED-6059 coverage delta in action

parent b404df35
No related branches found
No related tags found
No related merge requests found
...@@ -168,13 +168,20 @@ def _ParseArgs(): ...@@ -168,13 +168,20 @@ def _ParseArgs():
action="store_true", action="store_true",
help=("Allow incomplete target ligands.")) help=("Allow incomplete target ligands."))
parser.add_argument(
"-cd",
"--coverage-delta",
dest="coverage_delta",
default=False,
action="store_true",
help=("Allow incomplete target ligands."))
parser.add_argument( parser.add_argument(
"-gcm", "-gcm",
"--global-chain-mapping", "--global-chain-mapping",
dest="global_chain_mapping", dest="global_chain_mapping",
default=False, default=0.2,
action="store_true", help=("Coverage delta for partial ligand assignment."))
help=("Use a global chain mapping."))
parser.add_argument( parser.add_argument(
"-c", "-c",
...@@ -363,6 +370,7 @@ def _Process(model, model_ligands, reference, reference_ligands, args): ...@@ -363,6 +370,7 @@ def _Process(model, model_ligands, reference, reference_ligands, args):
check_resnames=args.enforce_consistency, check_resnames=args.enforce_consistency,
rename_ligand_chain=True, rename_ligand_chain=True,
substructure_match=args.substructure_match, substructure_match=args.substructure_match,
coverage_delta=args.coverage_delta,
global_chain_mapping=args.global_chain_mapping, global_chain_mapping=args.global_chain_mapping,
rmsd_assignment=args.rmsd_assignment, rmsd_assignment=args.rmsd_assignment,
unassigned=args.unassigned, unassigned=args.unassigned,
......
0% Loading or .
You are about to add 0 people to the discussion. Proceed with caution.
Please register or to comment