I am looking for information regarding restraint files that are generated from the threading templates viz., comb.dat, comb8CA.dat, combCA.dat, dist.dat, distL.dat, and par.dat. I know that these files are generated by mkinit.pl program which also has some information regarding them in the commented lines. But I want to learn more about them without having to parse the code line by line. I would be grateful if I can be pointed in the direction of that information Or someone who knows can post it right here. Either way, thanks in advance.
Information regarding restraint files generated and used by I-TASSER standalone program
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Re: Information regarding restraint files generated and used by I-TASSER standalone program
generally, comb*.dat are contact restraints from the templates, dist*.dat are distance restraints from templates. combCA.dat and distL.dat comb8CA.dat are CA contact or distance.,comb.dat and dist.dat are side-chain center contact and distance. combCA.dat are contacts with distance<6A, comb8CA.dat are contacts with distance<8A. I would suggest you carefully read the code in mkresmod to make all things more clearly.