Hi Alex,

Nigel is the best person to reply, so he may provide more comments. My understanding is that phenix.metal_coordination command (or whatever the equivalent click in the GUI is) should account for symmetry related atoms. If not you can fix it manually. First create edits file using phenix.metal_coordination and then add symmetry related bonds as described here:

http://www.phenix-online.org/documentation/refinement.htm#anch353

Also, could you please send me the PDB file or its portion containing relevant to your question atoms and I will have a closer look?

Pavel

On 10/16/12 6:33 PM, Alex Theodossis wrote:

Dear bb,

I am trying to refine a Zn ion coordinated by symmetry related residues. To avoid groups being pushed away. I have use phenix.metal_coordination to

generate the necessary link edits. However only non-symmetry related interactions are accounted for. Is there a relevant option I can switch on?

Alternatively, does anyone have an example of the syntax required to define the necessary symmetry operations in the elbow.edits file?

Thanks in advance.
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