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Revisions №20615

branch: rosetta:commits 「№20615」
Commited by: Andrew Muenks
GitHub commit link: 「4e95d564dc8b93fb」
Difference from previous tested commit:  code diff
Commit date: 2024-11-12 19:57:32
m1.clang.cxx11thread.serialization.python313.release.PyRosetta.conda.Release mac.clang.cxx11thread.serialization.python313.release.PyRosetta.conda.Release ubuntu.clang.cxx11thread.serialization.python313.release.PyRosetta.conda.Release

Ligand identification in cryoEM maps with GALigandDock (#227) This PR contains updates to density tools and GALigandDock to detect unmodeled regions of cryoEM maps and evaluate docked ligands based on their dG and density fit. Changes include: * Adding ligand identity evaluation in multiple_ligands_ mode in GALigandDock if a density map is present * Adding find_unassigned_density to density_tools.cc * Adding the sim_cryo.cc app to simulate cryoEM data * Improvements to docking large ligands, including an alternative density erosion algorithm and alternative crossover and mutations in GALigandDock

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