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README.md
translate2modelcif.py

Modelling of Spongilla lacustris proteome with functional annotations

Link to project in ModelArchive (incl. background on project itself)

Setup:

  • Using ColabFold for monomer predictions with AlphaFold without links to sequence databases
  • Input from them:
    • one tarball for the PDB files
    • one tarball for the JSON files
    • a CSV file with title and description for each protein
    • FASTA file with all sequences (used for sanity checks)

Special features here:

  • Description is long multiline text which includes output from functional annotation
  • Expected to be the first set of models converted by us to ModelCIF and fully imported into ModelArchive
  • Includes generic code for handling of ColabFold setup based on config.json

Content:

  • translate2modelcif.py : script to do conversion; compatible with Docker setup from ma-wilkins-import (and script based on code there)