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Commit d86653a

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Sebastian Salentin
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Fixes error causing the script to halt
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Diff for: plip/modules/preparation.py

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@@ -422,7 +422,7 @@ def find_rings(self, mol, all_atoms):
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rings = []
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aromatic_amino = ['TYR', 'TRP', 'HIS', 'PHE']
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ring_candidates = mol.OBMol.GetSSSR()
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debuglog("Number of aromatic ring candidates: %i" % len(ring_candidates))
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write_message("Number of aromatic ring candidates: %i\n" % len(ring_candidates), mtype="debug")
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# Check here first for ligand rings not being detected as aromatic by Babel and check for planarity
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for ring in ring_candidates:
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r_atoms = [a for a in all_atoms if ring.IsMember(a.OBAtom)]

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