I am a begineer of Rosetta de nevo peotein design and want to design an enzyme using rosettamatch, however it is complicated even i have read its method carefully. Recently, I am trying to use demos, and i found that are really helpful and important. But some used files need to be made by hand, such as the *.cst file. The question is how to determine the value size in block of *.cst files to constrain a ligand and residue interaction, including :
The 2nd clumon, xtol, specifying the allowed tolerance xtol of the value. The 3rd column, specifying the force constant k, or the strength of this particular parameter; The 4th column, the periodicity per of the constraint; And, 5TH the number of sampling points between x0 + xtol and x0 - xtol.
I want to know is there such kind of video for Rosettamatch. Could anyone please sent a link or example? Thanks sincerely.
from East China University of Science and Technology, China.