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OpenFreeEnergy / gufe Public

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[WIP] Use PDBInf#135

Open

richardjgowers wants to merge 6 commits intomainOpenFreeEnergy/gufe:mainfrom to_pdbinf_and_beyondOpenFreeEnergy/gufe:to_pdbinf_and_beyondCopy head branch name to clipboard

+261-467

Conversation Commits6 (6)Checks Files changed

Commits

Commits on Dec 20, 2023

WIP Use PDBInf
richardjgowers
committed
move SMC serialization into ExplicitMolecule
richardjgowers
committed
use ExplicitMolecule serialization in Protein
richardjgowers
committed
fixup Protein deserialization
richardjgowers
committed
fixup to_openmm_positions
richardjgowers
committed
use pooch for PLB files
richardjgowers
committed

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