diff --git a/projects/2024-12-ma-denv/README.md b/projects/2024-12-ma-denv/README.md index d925f5459e3a2997f144b041ec8eab643833e063..b3d1f937d9de8a4246f6437e3cb9c9cb5366c921 100644 --- a/projects/2024-12-ma-denv/README.md +++ b/projects/2024-12-ma-denv/README.md @@ -1,22 +1,22 @@ # Modelling AVITHRAID (ToDo: change to real title) -[Link to project in ModelArchive](https://www.modelarchive.org/doi/10.5452/ma-chfwm) (ToDo: update to final ID as requested by user) (incl. background on project itself and link to the publication) +[Link to project in ModelArchive](https://www.modelarchive.org/doi/10.5452/ma-denv) (incl. background on project itself and link to the publication) Modelling setup: -- ToDo: finish - SWISS-MODEL web server -- figure out: automodel or interactive +- all jobs ran in auto-mode Input files for conversion: - SWISS-MODEL ModelCIF files -- ToDo: does the script require to have all files in a directory? Or does the - script run with all files as arguments? Special features here: -- ToDo: fill this section +- None, just plain SWISS-MODEL ModelCIF files Content: -- ToDo: fill with files included in this directory - scripts, example data... +- translate2modelcif.py: Script to enrich ModelCIF files +- uniprotkb.py: Module to deal with UNP entries +- macif.py: Module to aid editing ModelCIF files +- example*: Example files <!-- LocalWords: ToDo AVITHRAID -->