Commit ff7fa928 authored by Studer Gabriel's avatar Studer Gabriel
Browse files

README updates

parent a90a9630
......@@ -14,7 +14,7 @@ instance which is not publicly available. The steps are nevertheless documented
here for internal reference.
- Fetch a SWISS-MODEL project with already executed template search specific to
our target sequence. 'BF.sm' contains such a project.
our target sequence. *BF.sm* contains such a project.
- Execute `sm fetch_data.py` to extract templates, alignments and profiles. They
are dumped in *data* and all the info is summarized in *data.csv*.
......@@ -23,11 +23,11 @@ Modelling and evaluation
- In a first step we model the target with all available templates by executing
`pm build_models_from_all_templates.py`. This reads the information in
*data.csv* to build and dump the models in *models*.
*data.csv* and builds/dumps the models in *models*.
- Executing `pm score_all_models.py` compares all previously built models to
*target.pdb* and prints the respective lDDT scores.
- The custom modelling pipeline is defined in the two scripts denoted as
listing_2.py and listing_3.py which refer to the listings in the main
*listing_2.py* and *listing_3.py* which refer to the listings in the main
manuscript.
Executing `pm listing_2.py` loads all templates in *data* and creates the
custom StructureDB and FragDB. The final model gets built with the custom
......
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