OpenFreeEnergy / OpenFreeEnergy/feflow
Atom shifting mapping for protein mutations
Open
@ijpulidos is already working on this.
Since Oct 29, 2024.
- Dominant language
- Python
- Stars
- 20
- Forks
- 4
- PR merge metrics
- No merged PRs in 30d
Description
- Check we can handle atom shifting mapping. For example when you pass a multisite mapping that it was multiple chains, how are the indices will be handled if there are for example water in-between the chains in the PDB or similar.
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