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499335 iteration based biochem calc

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

Beceriler: Her şey Kabul, Web Sitesi Yönetimi

Daha fazlasını görün: Calc, biochem, website text extract, iteration, step format file, website output text file, output text file website, output website text file, file structure management, extract files website, calculations website, pdb, info extract website, extract text website, website iteration, extract website text, extract info website, extract website info

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Proje NO: #2245255