Information regarding restraint files generated and used by I-TASSER standalone program

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rupesh
Posts: 5
Joined: Tue May 17, 2022 10:15 am

Information regarding restraint files generated and used by I-TASSER standalone program

Post by rupesh »

Hello!
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.
jlspzw
Posts: 94
Joined: Tue May 04, 2021 5:04 pm

Re: Information regarding restraint files generated and used by I-TASSER standalone program

Post by jlspzw »

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.
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