From 743b49b0023f8a9090369c2a370a3b7eb3698b93 Mon Sep 17 00:00:00 2001 From: Gabriel Studer <gabriel.studer@unibas.ch> Date: Fri, 24 Mar 2023 16:05:04 +0100 Subject: [PATCH] docu update --- modules/io/doc/profile.rst | 7 +++++-- 1 file changed, 5 insertions(+), 2 deletions(-) diff --git a/modules/io/doc/profile.rst b/modules/io/doc/profile.rst index e150a1346..bb6d41e27 100644 --- a/modules/io/doc/profile.rst +++ b/modules/io/doc/profile.rst @@ -154,8 +154,11 @@ The IOProfile Class Only relevant when reading PDB format. When set to true, reads CONECT statements and applies them in the pdb reader. This can result in hydrogen bonds salt bridges etc. to be connected. Check the PDB format - definition for more info. Disables connectity generation in case of HETATM - in processor except for water. + definition for more info. This may cause issues in subsequent processing + with the processor as we suddenly have two places where connectivity is + built. For the use case of valid CONECT statements for all hetatms, you + may want to disable processing of bonds between them in + :attr:`ost.conop.Processor.connect_hetatm` .. attribute:: processor -- GitLab