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Simple_cycpep_predict with crosslinker BBMB

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Simple_cycpep_predict with crosslinker BBMB

Hi all,

I'm trying to use simple_cycpep_predict with crosslinker BBMB, and the generated structure (see attached) does crosslink with BBMB.  However, it also does a head-to-tail cyclization between the 2 termini and I would like to not have that happen.  It's not clear to me from the help file how to do that as the default uses head-to-tail cyclization.  Is there a way to turn that off?

Here is the sequence file, the parameters that I'm using, as well as one of the generated structures to illustrate what I am having issues with.

Thanks a bunch in advance.



Post Situation: 
Tue, 2023-05-09 08:52