From 3abdc89d71a7f55113abad9b4af764f83e371209 Mon Sep 17 00:00:00 2001 From: Xavier Robin <xavier.robin@unibas.ch> Date: Fri, 21 Apr 2023 11:01:34 +0200 Subject: [PATCH] doc: SCHWED-5901 bug in "ligand" label assignment by default. --- modules/io/pymod/__init__.py | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/modules/io/pymod/__init__.py b/modules/io/pymod/__init__.py index 965a39ce4..1e9eb0b07 100644 --- a/modules/io/pymod/__init__.py +++ b/modules/io/pymod/__init__.py @@ -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` -- GitLab