[phenixbb] Refining sucrose

Priit Eek priit.eek at gmail.com
Tue May 24 00:34:19 PDT 2011

Thanks Nigel and Yuri! elbow.where_is_that_cif_file gave me the right cif to use in coot. Off to fix that sucrose now...


On 23.05.2011, at 17:55, Yuri wrote:

> All coot needs to run its real-space refinement is a .cif file as Nigel pointed out.
> You can also get this file from other ligand library websites (proDrg, hic-cup, etc...). The only catch here is. The name of your sucrose atoms must match, exactly, those in the file.
> Once you have such file go to the the file drop-down menu and click on Import CIF dictionary in coot. That should enable to rotate the rotatable bonds of your ligand
> -- 
> Yuri Pompeu
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