Re: [ccp4bb]: How to impose an angular restrain in a link?

[Garib Murshudov]

I attach an example of link (GLU-MAF) where many features of a link is present.

When link GLU-MAF is imposed then several actions will be taken:


 2) MAF will be modified. That is remove one hydrogen


for more information see:

www.ysbl.york.ac.uk/~alexei/dictionary.html

In your case you need only angle definition from this example

Garib

1) GLU will be modified using GLU-MOD modification. That is to change bond lenghts 3) link will be formed with bond lengths, angles and chiralities defined.

link_example.cif
Description: Binary data

On 6 Dec 2005, at 20:01, Huiying Li wrote:

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Fe-N ligation bond, but don't know how to define an angular restrain
on Fe-N-O.

Any help would be appreciated.

Huiying

-------------------------------------------------
Huiying Li, Ph. D
Department of Molecular Biology and Biochemistry
Natural Sciences I, Rm 2443
University of California at Irvine
Irvine, CA 92697, USA
Tel: 949-824-4322(or -1953);  Fax: 949-824-3280
email: [EMAIL PROTECTED]
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I am trying to refine with REFMAC a structure of heme protein with NO bound to the heme iron. I have run Sketcher to create the link for