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D-I-TASSER distance restraints

Posted: Sun Jan 16, 2022 6:07 am
by emirzakh
Is it possible to run D-I-TASSER with distance restraints? This was possible with C-I-TASSER and earlier versions, but I don't see an argument for it in the ReadMe.

If we want to use crosslinking restraints to guide modeling, would you recommend we stay with C-I-TASSER and I-TASSER-MD instead?

Thanks in advance!

Re: D-I-TASSER distance restraints

Posted: Mon Jan 17, 2022 12:05 am
by jlspzw
Dear user,

Thank you for the questions,

Yes, C-I-TASSER and earlier version I-TASSER server supports additional distance restraints.

We are currently working on setting a new style of user input distance restraints in D-I-TASSER, since D-I-TASSER itself has deep learning distance restraints.

Before that, you can try C-I-TASSER our I-TASSER-MD.

But I suggest you can first try D-I-TASSER with default, see if the model is already satisfied with your restraints.

Thank you.

Re: D-I-TASSER distance restraints

Posted: Mon Jan 17, 2022 3:48 am
by emirzakh
Thank you! I will try D-I-Tasser first then.