From d446530ae258deb25e73e9c73e4a2fa0046bc6d1 Mon Sep 17 00:00:00 2001 From: Stefan Bienert <stefan.bienert@unibas.ch> Date: Mon, 4 Dec 2023 11:26:53 +0100 Subject: [PATCH] Small fixes to the ModelCIF files --- projects/novelfams/translate2modelcif.py | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/projects/novelfams/translate2modelcif.py b/projects/novelfams/translate2modelcif.py index 2b4762c..ce8456b 100644 --- a/projects/novelfams/translate2modelcif.py +++ b/projects/novelfams/translate2modelcif.py @@ -165,6 +165,7 @@ def _get_ch_name(ch, use_auth=False): return ch.name +# ToDo: are those Ab Initio Models? class _OST2ModelCIF(modelcif.model.AbInitioModel): """Map OST entity elements to ihm.model""" @@ -234,7 +235,7 @@ def _get_pdb_files(model_dir): def _get_title(fam_name): """Get a title for this modelling experiment.""" - return f"AlphaFold model for NMPFamsDB Family {fam_name}" + return f"Model for NMPFamsDB Family {fam_name}" def _get_model_details(fam_name): @@ -601,3 +602,5 @@ def _main(): if __name__ == "__main__": _main() + +# ToDo: - modelling protocol? -- GitLab