selkamand / selkamand/structures
Add xyz file parser & writer
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- Dominant language
- R
- Stars
- 1
- Forks
- 0
- PR merge metrics
- No merged PRs in 30d
Description
Its a much simpler format than mol2 so hopefully not to much effort yet is exported by many tools so useful to add
Contributor guide
No contributing guide indexed for this repository
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 locating the existing mol2 parser and writer in the R package and compare their entry points with the simpler xyz format. Determine the xyz fields and expected representation from the project before implementing support. Done means xyz files can be both parsed and written, with coverage for representative files.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- r
- Domain
- bioinformatics
- Issue type
- Feature
- Difficulty
- 3/5
- Estimated time
- 1-2 days
- Activity status
- Quiet
- Clarity
- Needs clarification
- Newbie friendliness
- 48/100