Exclude macrocycle rings for rest region expansion by default#132
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default * Including a Macrocycle's entire ring in the REST region tends to over sample in the complex leg.
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All of the macrocycle sets were run in tmd-industries/rbfe-datasets#20 Ftase got worse, but everything else seems like a wash. Since not including the entire macrocyclic ring is less surprising, it seems like a more desirable result even if it may help in some cases.
3RKZ Before
3RKZ After