just starting the mass spec script
got something together, still need front end and int test
Got the right working output, just need to add a loop over all files in folder and make read_data take an argument (replace all sys.argv[1] calls)
got it to search through the given dir, still a bit choppy/user unfriendly/not robust at all
Cleaned up a bit, still all in 2 fns, need to add unit test and further refinement
Make mutations from list output separate pdbs using pyrosetta... 1st gen, very ugly
Merge branch 'master' of github.com:sjbertolani/development
ipython notebooks