[Link to project in ModelArchive](https://www.modelarchive.org/doi/10.5452/ma-osf-ppp2r2a)(incl. background on project itself)
Input files for conversion:
- info_of_submitted_structures.csv with metadata (incl. per chain mapping to entity description, subsetting, UniProtKB AC, iPlddt and iPAE scores, binding experiment results )
_ 4 models directories : screen_256, holoenzyme, relaxes_figures and design
- config.json in every directory above
- [NAME].pdb for each model NAME listed in info_of_submitted_structures.csv, in the directory indicated in the metadata
- [NAME].json their respective scores for every model except the relaxed models containg the string 'only_pep' in their NAME
Modelling setup:
Special features here:
Content:
- translate2modelcif.py : script to do conversion (run in virtual environment with same setup as Docker container here but with OST 2.8 and very latest main branch of python-modelcif and python-ihm from 20.6.2024)
- modelarchive_submission.zip: example inputs to convert selected complex from this set, compressed
- expected_output_modelcif.zip: compressed output from running conversion of modelarchive_submission with the following command :
