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

Posted: Wed Aug 31, 2022 9:53 am
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.

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

Posted: Fri Sep 02, 2022 7:03 am
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.

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

Posted: Wed Sep 11, 2024 8:54 am
by matumbrella
In protein structure prediction and modeling, restraint files such as comb.dat,geometry dash comb8CA.dat, combCA.dat, dist.dat, distL.dat, and par.dat are crucial for guiding the modeling process by incorporating information from threading templates. These files are typically generated by scripts or programs designed to prepare input data for structural modeling algorithms.

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

Posted: Thu Sep 12, 2024 4:19 am
by andreas
To clarify matters, I recommend reading the code in mkresmod thoroughly.
geometry dash

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

Posted: Mon Nov 04, 2024 1:42 am
by illnessused
This information is really important to update and access. Enjoy being able to participate and learn more. The I-TASSER standalone programs really support quite well in the work stages soccer random