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.
|param file used when calling simple_cycpep_predict||621 bytes|
|sequence file||43 bytes|
|an example structure of the output. Note the 2 termini are also connect whereas I want them not to be.||33.67 KB|