From 6a08bd7b4d21fbd68cf855a6e8821625a9460bca Mon Sep 17 00:00:00 2001
From: B13nch3n <b13nch3n_01@theb-si.de>
Date: Wed, 13 Apr 2022 15:07:23 +0200
Subject: [PATCH] Add _ma_model_list.model_group_name
---
translate2modelcif.py | 9 ++++++++-
1 file changed, 8 insertions(+), 1 deletion(-)
diff --git a/translate2modelcif.py b/translate2modelcif.py
index cb28182..66de8c1 100644
--- a/translate2modelcif.py
+++ b/translate2modelcif.py
@@ -306,6 +306,12 @@ def _get_model_details(gene_names):
)
+def _get_model_group_name():
+ """Get a name for a model group."""
+
+ return "Crosslinked Heterodimer Multimer v2 Models"
+
+
def _get_sequence(chn):
"""Get the sequence out of an OST chain."""
# initialise
@@ -595,7 +601,7 @@ def _store_as_modelcif(interaction_name, data_json, ost_ent, file_prfx):
# ToDo [input]: Get name
model_group = modelcif.model.ModelGroup(
- [model], name="ma_model_list.model_group_name"
+ [model], name=data_json["model_group_name"]
)
system.model_groups.append(model_group)
@@ -632,6 +638,7 @@ def _create_model_json(data, pdb_file, up_acs):
gns.append(i["up_gn"])
data["title"] = _get_title(gns)
data["model_details"] = _get_model_details(gns)
+ data["model_group_name"] = _get_model_group_name()
return ost_ent
--
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