I have a protein (text file) in a specific format, and a file with parameters. Using specified/default parameters I need to create 2 files for each residue (structure +task), submit it for differenert program for calculations, get results, from the output file extract calculated info, make modifications obtaining info from 2 output files), calculate RMS, and proceed to the next step/residue in protein. It has to go couple of cycles and stop when certain criteria will be reached.
I have all the info from biological perspective, I also (if you prefer) have program that has to be debugged with some chosen parameters.
U MUST have minimal knowledge in bioinformatics !!! .pdb format