Reply To: disulfide bridges in loop modeling

[Anonymous]

Thanks, I will test it all!

cheers,

D.

> Hi!
>
> What is the easiest way to incorporate disulfide bridges in loop modeling protocole? What flags should I add to loopmodeling protocole?
>
> I used the “detect_disulfide_before_relax” – didn’t work.
> I added constraints file like below:
>
> AtomPair CB 264 CB 257 HARMONIC 3.85 1.0
>
> or
>
> AtomPair SG 264 SG 257 HARMONIC 3.85 1.0
>
> together with flags:
>
> add -constraints::cst_fa_file input/file.cst and -constraints::cst_fa_weight 1000.0
>
> didn’t work….
> Despite the fact, that I already have disulfide bridge in the input structure…And I wanted only to refine the loop with disufide.
>
> I am sure there is an easy explanation, I just didn’t worked it out myself. Anybody did?
>
> D.
>