From bbbbed16493691d9b0fcdfcc4e4f22ab78be17a5 Mon Sep 17 00:00:00 2001
From: Stefan Bienert <stefan.bienert@unibas.ch>
Date: Mon, 28 Aug 2023 14:17:21 +0200
Subject: [PATCH] Notes for scores
---
convert_to_modelcif.py | 10 +++++++++-
1 file changed, 9 insertions(+), 1 deletion(-)
diff --git a/convert_to_modelcif.py b/convert_to_modelcif.py
index 7518283..c621f5b 100755
--- a/convert_to_modelcif.py
+++ b/convert_to_modelcif.py
@@ -117,7 +117,14 @@ def _store_as_modelcif(
name="ToDo: Model <N> (ranked #<M>)",
)
- # ToDO: check data_json["model_group_name"] at Tara's
+ # process scores
+ # ToDo: Get scores, but where are they stored? For other AF2 related
+ # projects, there are JSON or Pickle files with all AF2 scores
+ # system.repositories.append(
+ # model.add_scores(data_json, system.id, mdl_name, add_files)
+ # )
+
+ # ToDo: check data_json["model_group_name"] at Tara's
system.model_groups.append(modelcif.model.ModelGroup([model]))
# ToDo: get protocol steps together
@@ -360,6 +367,7 @@ if __name__ == "__main__":
# 'data_', '_entry', maybe have a user-defined JSON document with things
# like that, including author names?
# ToDo: where to store which model was chosen? Should be in Tara's models.
+# ToDo: make sure all functions come with types
# LocalWords: ToDo AlphaPulldown PAEs dir struct coevolution MSA py modeling
# LocalWords: multimer sif Jupyter
--
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