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XChemExplorer
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v1.7.8 (01/09/2020)
#369
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tkrojer
closed
4 years ago
tkrojer
commented
4 years ago
bug fix: string formatting error during restraints generation on local machine
added scanchirals option to rhofit command in fit_ligands function
bug fix: added 'module load buster' to fit_ligands function