GitLab

Add preliminary support for looking at the ddG of only a subset of residues and for getting per-residue energy changes

See merge request !3

initial functionality for looking at energetics of center chain and per residue energy change of mutations

pose numbering, identify center chains, and calculate center chain ddGs

Pregen resfiles

See merge request !2

Merge branch 'pregen_resfiles' of git.biohpc.swmed.edu:s184069/flex_ddg_ala_scn_runner into pregen_resfiles