salilab / salilab/optrep

Add options to PMI's topology file to merge it with the topology file used by this module

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Dominant language
Python
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No merged PRs in 30d

Description

This module uses a topology file with the names of different domains to be optimized, the PDB start and end residue numbers and PDB file names if any, and the resolutions to start with. Many options are similar to PMI's topology file, with a few extra ones added in.
Consider merging this topology file with the one that PMI uses.

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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.

Research direction

No files, tests, or entry points are identified. Start by comparing this module's topology-file options with PMI's topology-file format, then determine the compatibility requirements. Done should mean one merged topology format supports the module's existing domain, residue, PDB, and resolution options alongside PMI's options.

Written by the indexing model from the issue text.

Assessment

Tech stack
python
Domain
backend
Issue type
Feature
Difficulty
5/5
Estimated time
Over a week
Activity status
Stale
Clarity
Needs clarification
Newbie friendliness
25/100

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