Monomer groups with explicit connections support in Indigo model and KET-format
- Dominant language
- C++
- Stars
- 406
- Forks
- 134
- Avg merge
- 2d 11h
- Merged PRs (30d)
- 24
Description
**Background**
Indigo macromolecules support in scope of HELM 2.0
**Solution**
Modify Indigo model to support monomer groups and explicit connections (from monomer to monomer with specified attachment points). Add KET export and import.
Tests should include MOL<>KET conversions.
Contributor guide
No contributing guide indexed for this repository
Research direction
The issue names the Indigo model, KET import/export, monomer groups, and explicit connections, but no files or tests. Start by locating the model and KET format entry points, then review existing MOL↔KET conversion tests. Done means the model supports the requested connections and MOL↔KET conversions are covered by tests.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- cpp
- Domain
- tooling
- Issue type
- Feature
- Difficulty
- 5/5
- Estimated time
- Over a week
- Activity status
- Stale
- Clarity
- Needs clarification
- Newbie friendliness
- 25/100