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Re: [ccp4bb]: New ligand using Refmac5.0

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Therese Eneqvist wrote:

> Dear CCP4 users,
> I am trying to refine a structure with 3,5,3',5'-tetraiodo-L-thyronine
> (thyroxine, see attachment) using Refmac5.0.
> I have downloaded the coordinates, built them into my structure, and let
> refmac create a library describing the molecule, which looks like this:

Hi Theresa,

For this case


should be used. It means that the program relies on users naming conventions and

does not check connectivity and atom names and types against dictionary.



Garib N. Murshudov, Chemistry Department, University of York, U.K.
Tel: Home +44 (1904) 42 62 87, work:  +44 (1904) 43 25 65