HI Gaelle,
If both the nucleotide already exists in the PDB (you can check on
LigandExpo), you can just create a LINK description with Jligand in CCP4.
See this tutorial:
http://www.ysbl.york.ac.uk/mxstat/JLigand/tutorial_link.html
If you have the cif file with the LINK description, you can just load it in
Refmac. You also need to add a LINK record to you PDB file. Jligand will
give you an example record.
HTH,
Robbie
> -----Original Message-----
> From: CCP4 bulletin board [mailto:[log in to unmask]] On Behalf Of
> Gaelle PESCE
> Sent: Friday, September 26, 2014 12:52
> To: [log in to unmask]
> Subject: [ccp4bb] How to generate cif file?
>
> Dear all,
>
>
>
> In my protein structure I found a modified Tyrosine that is covalently
bound
> to a nucleotide by a phosphodiester bound.
>
> I am having problem to generate the library description for such a
> modification. Would someone have any ideas on how to generate such a cif
> file?
>
>
>
> Thanks in advance.
>
>
>
> Regards,
>
> Gaelle
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