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Re: [modeller_usage] Disulphide bonds forming with several cysteines

On 11/4/17 8:15 AM, Lenka wrote:
I am selecting the residues I want to form the disulphide bonds but there is a one cys that gets in a way and when I visualize the disulphides in Pymol, I can see three cysteines are bonded together. How can I prevent that?

Impossible to say for sure without seeing your full inputs, but the script fragment looks OK to me. Most likely you're trying to make something a disulfide where the two Cys residues in the template are far away from each other, so Modeller is having a hard time satisfying the restraints.

	Ben Webb, Modeller Caretaker
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