RosettaCommons / RosettaCommons/atomworks
bug: `LIG` from `parse`
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bug
- Dominant language
- Python
- Stars
- 446
- Forks
- 52
- PR merge metrics
- No merged PRs in 30d
Description
If I name a residue LIG (which is not in the CCD), it for some reason gets truncated to 18 atoms that are renamed
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First steps
- Read the whole issue, then the project's contributing guide.
- Comment on the issue to say you are picking it up — it saves two people doing the same work.
- Fork the repository and make your change on a branch.
- Open a pull request that references the issue number.
Research direction
Start by reproducing the parse behavior with a residue named LIG, then trace how non-CCD residues are handled during parsing. The issue is done when LIG is preserved without atom truncation or renaming, with a regression test covering the case.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- python
- Domain
- bioinformatics
- Issue type
- Bug
- Difficulty
- 3/5
- Estimated time
- 1-2 days
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 35/100