6 commits

Author	SHA1	Message	Date
Tanushree Tunstall	7d36e0e36b	fixed white space prob with mcsm input with merge	2020-07-14 14:07:23 +01:00
Tanushree Tunstall	83383b4493	finding discrepancy in merging or dfs,grrrr	2020-07-13 18:31:29 +01:00
Tanushree Tunstall	e4a7deae7b	minor tidy up in foldx, mcsm and dssp scripts	2020-07-09 14:04:16 +01:00
Tanushree Tunstall	f8e345f5bc	adding default dirs and filenames to argparse in foldx and mcsm	2020-07-09 12:57:08 +01:00
Tanushree Tunstall	01fbc2a87b	ran foldx and mcsm (get) for 33k dataset	2020-07-08 20:30:32 +01:00
Tanushree Tunstall	4d686e2933	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