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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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Add new molecules for test #47

Closed pierrepo closed 4 months ago

pierrepo commented 4 months ago

@KarinDuong could you have a look. There are 2 files for the same system: one all-atom and the other one coarse grain.