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NickWoodall/PhosphoSwitch_Design
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Rosetta Scripts Protocol in two steps: Step 1: strBundle_t1_bgs_hbnet.xml Generates a 4 helix bundle based on parameters input at command line then search for hyrogen bond networks. A 'fake' .pdb is required for input since Rosetta Scripts requires a pdb input Insert tyrosines and phosphosite from .res file The example here should find networks but will fail to pass the hbnet mover settings. Lowering the cut-offs will allow an output. Example command line -> replace with your own sampling parameters and change path to rosetta scripts executable Step 2: Takes a helical bundle with hydrogen bond networks and add another network at the bottom then design the rest of the sidechains .res file to keep phospho-site via task operation .cst file to keep constraints for previous hydrogen bond-network #bug in hbnet, need to uncomment output constraints from ouput cst .comp file to control aa distribution #Check CRLF versus LF issues if files don't load in Rosetta
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Code to generate and design helical bundles with phosphorylation sites in hydrogen bond networks.
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