kinoml
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Refactor `kinmodel` set of scripts
Description
Start refactor of @pkiruba's kinmodel
(first set of patches in this fork).
Todos
- [ ] Refactor scripts into library pieces and assemble the actual script as part of
workflows
- [ ] Structural alignment
- [ ] Sequence alignment
- [ ] Model building
- [ ] Structure minimization
- [ ] Provide Rosetta alternatives using OpenMM and others.
Questions
- [ ] Availability of in-house datasets. Can we redistribute them with the code?
Status
- [ ] Ready to go