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Re: [modeller_usage] ions and non-standard amino acids problem

On 03/01/2016 09:37 PM, 程中一 wrote:

I have to model a metalloenzyme named nitrile hydratase with a cobalt
ion as well as two oxidised Cysteines in the active site.

The problems is that once the model is established, the structure of the
active site is very different from that of the template.
Your model should resemble the template by construction. If it doesn't, this suggests a problem with your alignment - either you have a misalignment or you haven't aligned the model with the template at all. 

	Ben Webb, Modeller Caretaker
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             https://salilab.org/modeller/
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