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schwede
openstructure
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3abdc89d
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3abdc89d
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1 year ago
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Xavier Robin
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doc: SCHWED-5901 bug in "ligand" label assignment by default.
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@@ -356,7 +356,10 @@ def LoadMMCIF(filename, fault_tolerant=None, calpha_only=None,
customize the exact behaviour of the mmCIF import. For more information on
these options, see :doc:`profile`.
Residues are flagged as ligand if they are mentioned in a HET record.
Residues are flagged as ligand if they are not covered by an ``entity_poly``
record (ie. they are non-polymer entities in ``pdbx_entity_nonpoly``). Note
that all residues will be flagged as ligands if ``seqres=False`` (the
default).
:param filename: File to be loaded
:type filename: :class:`str`
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