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:CCP4BB@JISCMAIL.AC.UK] On Behalf Of > Gaelle PESCE > Sent: Friday, September 26, 2014 12:52 > To: CCP4BB@JISCMAIL.AC.UK > 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
