From 8d0378b282005516ac220f29bb9d5df935efa77d Mon Sep 17 00:00:00 2001 From: Stefan Bienert <stefan.bienert@unibas.ch> Date: Thu, 16 Nov 2023 13:13:47 +0100 Subject: [PATCH] Removed some ToDos --- convert_to_modelcif.py | 7 ------- 1 file changed, 7 deletions(-) diff --git a/convert_to_modelcif.py b/convert_to_modelcif.py index fbb6a84..0612cc8 100755 --- a/convert_to_modelcif.py +++ b/convert_to_modelcif.py @@ -46,7 +46,6 @@ from alphapulldown.utils import make_dir_monomer_dictionary # ToDo: Example 1 from the GitHub repo mentions MMseqs2 # ToDo: Discuss input of protocol steps, feature creation has baits, sequences # does modelling depend on mode? -# ToDo: Option to add remaining models w PAE files to archive # ToDo: deal with `--max_template_date`, beta-barrel project has it as software # parameter flags.DEFINE_string( @@ -394,7 +393,6 @@ def _cmp_ref_dbs(db_dct, db_objs): def _get_modelcif_ref_dbs(meta_json): """Get sequence databases used for monomer features.""" # vendor formatting for DB names/ URLs, extend on KeyError - # ToDo: adapt to new JSON input sdb_lst = {} # 'sequence database list' starts as dict since we need to # compare DBs between the different monomers. i = 0 @@ -1101,11 +1099,6 @@ def main(argv): if __name__ == "__main__": app.run(main) -# ToDo: Question - option to include all the non-selected models in associated -# data archive? This blows up storage size (especially if PAEs included), -# but we did that already in the past. Idea is to have all models -# available for... reproducibility and whatnot, but show the selected -# (representative) of the modelling experiment/ study more prominently. # ToDo: Things to look at: '_struct.title', '_struct.pdbx_model_details', # 'data_', '_entry', maybe have a user-defined JSON document with things # like that, including author names? -- GitLab