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Revisions №62139

branch: rosetta:main 「№62139」
Commited by: Andrew Muenks
GitHub commit link: 「4e95d564dc8b93fb」
Difference from previous tested commit:  code diff
Commit date: 2024-11-12 14:57:32
linux.clang linux.gcc linux.srlz mac.clang
debug
release
unit
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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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