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pierrepo / grodecoder

GroDecoder extracts and identifies the molecular components of a structure file (PDB or GRO) issued from a molecular dynamics simulation.
https://grodecoder.streamlit.app/
BSD 3-Clause "New" or "Revised" License
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Create a protein complex in water #38

Closed pierrepo closed 1 month ago

pierrepo commented 2 months ago

Create a system with:

Create a second system with one mutation for the complex: 1B27

pierrepo commented 1 month ago

@KarinDuong could you please try to get this one?

pierrepo commented 1 month ago

@KarinDuong did you manage to get a working system of this use case?