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Refactor `kinmodel` set of scripts

Open jaimergp opened this issue 5 years ago • 0 comments

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

jaimergp avatar Sep 16 '19 10:09 jaimergp