Reply To: placing a constraint during structure prediction

[Anonymous]

Here’s something from the FAQ section on CS-Rosetta’s website:

“How to use known disulfide bond information in CS-ROSETTA?

Answer
In order to include the known disulfide bond information for the CS-ROSETTA structure prediction, an additional option “-in:fix_disulf disulf.cst” needs to be added to the ROSETTA3.x command line in the runCSRjob3.com script, where “disulf.cst” is a disulfide bond definition file (and must be located in the same working directory unless its full path is provided as well). An example “disulf.cst” file containing a definition of two disulfide bonds (between residues Cys6 and Cys88 and between Cys38 and Cys68) is listed below:

6 88
38 68
“

Hope that helps.