updated blackend cctbx changes #309
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…igand, Covalent_Ligand
this function will go through all conformers going into CPLEX, determine 2 conformers with the closest RMSD, then choose the 1 conformer from the 2 closest RMSD with the lowest occupancy. This will then assign the occupancy of that conformer to 0, which will be removed in the masking function in qFit segment
Since phenix changed them again!!
…e on the CLI; use CCTBX implementation for most tests ExcitedStates#233
Update line 237 so that it works off of a copy of the structure, rather than the original structure. If you don't work from a copy, the file gets written over an information is lost
edit file names so they match the outputs of redistribute_cull_low_occupancy and remove_duplicates
fix typo
273 black cctbx
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Replaces #274