nf-core / nf-core/proteinfold

populate_modelcif.py to handle the data ingest into classes

Open
#584 0 comments 0 reactions 1 assignee View on GitHub

@keiran-rowell-unsw is already working on this.

Since Apr 30, 2026.

WIP
Dominant language
HTML
Stars
115
Forks
75
No merged PRs in 30d

Description

Building the populated .mmcif file requires using a lost of modelcif. library functions.

There's a WIP start on the boilerplate in the Australian fork:

https://github.com/Australian-Structural-Biology-Computing/proteinfold/blob/ff4af33306654cfe31886d7149da7a9309bf0cda/bin/populate_modelcif.py

The key divisions are between:

  • Instantiating the modelcif classes once
  • Smaller internal _parse_[metric]_tsv(metric_tsv) scripts

Contributor guide

Open the contributing guide

First steps

  1. Read the whole issue, then the project's contributing guide.
  2. Comment on the issue to say you are picking it up — it saves two people doing the same work.
  3. Fork the repository and make your change on a branch.
  4. Open a pull request that references the issue number.

Assessment

This issue has not been assessed yet.

Get new issues in your inbox

A short digest of beginner-friendly GitHub issues.