Re: [phenixbb] Fw: bond deviation deected by Coot

Hi Dialing, How are you adding the hydrogens? Are they added following refinement, or before refinement? There are various Hydrogen bond length definitions used by different programs, and that could explain the difference. What is the magnitude of the deviation? Jeff On Mon, Dec 5, 2011 at 6:48 AM, Dialing Pretty wrote:

Dear All,

Interestingly, most of the bonds deviation are from Asn! Btween ND2 and HD21 or HD22.

I am looking forward to getting an explanation from you.

Cheers,

Dialing

----- Forwarded Message ----- From: Dialing Pretty To: "[email protected]" Sent: Tuesday, 6 December 2011 12:44 AM Subject: bond deviation deected by Coot

Dear All,

After Pheneix refine, the quality of the structure improved significantly as analyzed by Molprobity. However the  bond deviation increased significantly after the refinement. Will you please tell me which refine function can be used to reduce the bond deviation detected by the Coot geometry analysis?

Cheers,

Dialing

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