KULL-Centre/PRISM

missing SC realignment bug for ddG postprocessing

Closed this issue · 2 comments

bug found by @hezscha : missing SC in position 19.

Pipeline does remove this position but prepare does not account for this --> postprocessing has wrong matching

quickfix: add the missing residue in the parse_ddg.sbatch sequence

error due to clean script. fixed with 772b14b