From 201e8c24c1ac01cc9dccc24183359176d4bfb750 Mon Sep 17 00:00:00 2001
From: Stefan Bienert <stefan.bienert@unibas.ch>
Date: Wed, 31 Jan 2024 15:33:51 +0100
Subject: [PATCH] Make order of categories in mmCIF files more RCSB-like
---
modules/io/src/mol/mmcif_writer.cc | 8 ++++----
1 file changed, 4 insertions(+), 4 deletions(-)
diff --git a/modules/io/src/mol/mmcif_writer.cc b/modules/io/src/mol/mmcif_writer.cc
index 8c5ba161d..e7c157172 100644
--- a/modules/io/src/mol/mmcif_writer.cc
+++ b/modules/io/src/mol/mmcif_writer.cc
@@ -1352,15 +1352,15 @@ void MMCifWriter::Finalize(ost::conop::CompoundLibPtr compound_lib) {
Feed_pdbx_entity_branch(pdbx_entity_branch_, entity_info_);
// finalize
- this->Push(chem_comp_);
this->Push(entity_);
- this->Push(struct_asym_);
this->Push(entity_poly_);
this->Push(entity_poly_seq_);
- this->Push(pdbx_poly_seq_scheme_);
- this->Push(atom_type_);
+ this->Push(chem_comp_);
+ this->Push(struct_asym_);
this->Push(pdbx_entity_branch_);
+ this->Push(atom_type_);
this->Push(atom_site_);
+ this->Push(pdbx_poly_seq_scheme_);
structure_set_ = true;
}
--
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