Merge pull request #121 from marrink-lab/group-strands

Group nucleic acid strands
marrink-lab · Sep 28, 2018 · 053e486 · 053e486
2 parents e6a76c9 + c159a2c
commit 053e486
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diff --git a/bin/martinize2 b/bin/martinize2
@@ -102,6 +102,7 @@ def pdb_to_universal(system, delete_unknown=False,
     canonicalized.force_field = force_field
     LOGGER.info('Guessing the bonds.', type='step')
     vermouth.MakeBonds().run_system(canonicalized)
+    vermouth.MergeNucleicStrands().run_system(canonicalized)
     if write_graph is not None:
         vermouth.pdb.write_pdb(canonicalized, str(write_graph), omit_charges=True)
     LOGGER.info('Repairing the graph.', type='step')