Skip ligand loading in parse-proteins command

This commit is contained in:
rdk
2026-03-01 20:48:00 +01:00
parent 582d5ebf1f
commit 3a8e985eb4

View File

@@ -212,6 +212,8 @@ class AnalyzeRoutine extends Routine {
* Parse all proteins in the dataset and report errors.
*/
void cmdParseProteins() {
LoaderParams.ignoreLigandsSwitch = true // no need to load ligands for this
def res = dataset.processItems { Dataset.Item item ->
item.protein
}