5 commits

Author	SHA1	Message	Date
Tanushree Tunstall	c0827b56cc	finding discrepancy in merging or dfs,grrrr	2020-07-13 18:31:29 +01:00
Tanushree Tunstall	08379c0def	minor tidy up in foldx, mcsm and dssp scripts	2020-07-09 14:04:16 +01:00
Tanushree Tunstall	6725f08829	adding default dirs and filenames to argparse in foldx and mcsm	2020-07-09 12:57:08 +01:00
Tanushree Tunstall	8931441fa5	ran foldx and mcsm (get) for 33k dataset	2020-07-08 20:30:32 +01:00
Tanushree Tunstall	973a1a33da	refactor foldx pipeline to include: ... * command-line args * creating necessary dirs automagically * code cleanup, syntax errors, etc etc	2020-06-30 17:14:30 +01:00