From 6ba4d5abf3a23e2b8a55aba93c73e235d94768d6 Mon Sep 17 00:00:00 2001
From: Xavier Robin <xavier.robin@unibas.ch>
Date: Fri, 23 Dec 2022 15:47:06 +0100
Subject: [PATCH] doc: warning about is_ligand
---
modules/mol/base/doc/entity.rst | 17 ++++++++++++-----
1 file changed, 12 insertions(+), 5 deletions(-)
diff --git a/modules/mol/base/doc/entity.rst b/modules/mol/base/doc/entity.rst
index 9e7acf706..5f56ccec1 100644
--- a/modules/mol/base/doc/entity.rst
+++ b/modules/mol/base/doc/entity.rst
@@ -679,11 +679,18 @@ The Handle Classes
:type: :class:`SecStructure`
.. attribute:: is_ligand
-
- Whether the residue is a ligand. When loading PDB structures, this property
- is set based on the HET records. This also means, that this property will
- most likely not be set properly for all except PDB files coming from
- pdb.org. Also available as :meth:`IsLigand`, :meth:`SetIsLigand`.
+
+ .. warning::
+ This property is meaningless on mmCIF files loaded with
+ :func:`ost.io.LoadMMCIF` with `seqres=False` (the default), or if no
+ default compound library is set.
+
+ Whether the residue is a ligand. When loading PDB structures, this property
+ is set based on the HET records. This also means, that this property will
+ most likely not be set properly for all except PDB files coming from
+ pdb.org. When loading MMCIF structures, this property is set based on
+ `seqres` information and differs from PDB structures.
+ Also available as :meth:`IsLigand`, :meth:`SetIsLigand`.
.. attribute:: is_protein
--
GitLab