From 8ca061eb8ddd0d252f547ecbb1f547bb78bd3e64 Mon Sep 17 00:00:00 2001 From: Tom Goddard Date: Thu, 25 Jul 2024 18:23:22 -0700 Subject: [PATCH] Avoid foldseek ligands error if no ligands are found. --- src/bundles/foldseek/src/ligands.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/bundles/foldseek/src/ligands.py b/src/bundles/foldseek/src/ligands.py index fe2ef6a3ba..e4a41a5699 100644 --- a/src/bundles/foldseek/src/ligands.py +++ b/src/bundles/foldseek/src/ligands.py @@ -94,7 +94,7 @@ def foldseek_ligands(session, rmsd_cutoff = 3.0, alignment_range = 5.0, minimum_ lignames = ', '.join(sorted(lignames)) session.logger.status(f'Found {nlig} ligands in {nlighits} hits: {lignames}', log = True) - if combine: + if combine and keep_structs: for structure in keep_structs: _include_pdb_id_in_chain_ids(structure) cmodel =_combine_structures(session, keep_structs)