I am trying to do structure calculations with CS-Rosetta/Rasrec. Test data from the Rosetta Toolbox work perfectly fine, but my own data make trouble: I am not able to set up a run with NOE data. The .upl files were already trimmed corresponding to trimming the termini as well as renumbered, but converting the cyana .upl files into rosetta .cst files fails, since "there is not enough information to determine the offset". It looks like the sequence information from the upl files cannot be matched with the fasta sequence.
Is there any idea, what is the problem and how I can solve this?
Thanks in advance!
I'm not familiar with Rasrec to give a good answer, but a person who is suggested asking questions about CS-Rosetta specific scripts on the CS-Rosetta website: http://csrosetta.chemistry.ucsc.edu/forum, where there should be someone who is familiar with the details of the CS-Rosetta accessory scripts.
I tried already to ask questions via the contact form without any success. I can try the forum as well, but it looks not really active anymore. :(