mutation_alascan_ddg merge requestshttps://git.biohpc.swmed.edu/s184069/flex_ddg_ala_scn_runner/-/merge_requests2022-09-30T14:15:15-05:00https://git.biohpc.swmed.edu/s184069/flex_ddg_ala_scn_runner/-/merge_requests/3Add preliminary support for looking at the ddG of only a subset of residues a...2022-09-30T14:15:15-05:00Vishruth MullapudiAdd preliminary support for looking at the ddG of only a subset of residues and for getting per-residue energy changesAdded initial support for looking at defined ranges (via rosetta pose numbering) of fibrils to calculate the bound-state ddGs from.Added initial support for looking at defined ranges (via rosetta pose numbering) of fibrils to calculate the bound-state ddGs from.https://git.biohpc.swmed.edu/s184069/flex_ddg_ala_scn_runner/-/merge_requests/2Pregen resfiles2022-06-14T12:18:47-05:00Vishruth MullapudiPregen resfilesReorganized projectReorganized projecthttps://git.biohpc.swmed.edu/s184069/flex_ddg_ala_scn_runner/-/merge_requests/1Merge branch 'remove-to-be-depracated-used-of-pandas-append-method' of...2022-03-09T14:28:21-06:00Vishruth MullapudiMerge branch 'remove-to-be-depracated-used-of-pandas-append-method' of...Changed deprecated dataframe.append() method for pd.concat() method.Changed deprecated dataframe.append() method for pd.concat() method.