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Overhaul of collator.py:_copy_files to handle datasets with ligands b…
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…ut without event maps
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ConorFWild committed Nov 23, 2023
1 parent 75aded8 commit 7f406ce
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion src/xchemalign/collator.py
Original file line number Diff line number Diff line change
Expand Up @@ -621,7 +621,7 @@ def _copy_files(self, meta):
hist_event_maps[(model, chain, res)] = ligand_binding_data

# Determine the ligands present and their coordinates
dataset_ligands = self.get_dataset_ligands(pdb)
dataset_ligands = self.get_dataset_ligands(pdb_input)

# Match ligand to panddas event maps if possible and determine if those maps are new
best_event_map_paths = self.get_dataset_event_maps(xtal_name, dataset_ligands, event_tables)
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