Dear Cristina, In CCP4 you've got two options that use the modern approach (Acedrg):
(1) CCP4i2 -> Ligands -> Make Covalent Link. (2) Coot -> Calculate -> Modules -> CCP4. This will make a "CCP4" menu appear that contains the option: Make Link via Acedrg. Hopefully it's pretty self-explanatory from there - you'll end up with a CIF dictionary containing the link description, which you can then pass to your refinement program. Both of these options require the latest version of CCP4 (7.1). Regards, Rob > On 2 Jul 2020, at 15:59, Cristina Machon <cms...@ibmb.csic.es> wrote: > > Dear all, > > I am writing regarding a problem we are facing with the refinement of a > structure. We would really appreciate it if anybody could suggest how to set > up geometrical restraints for a protein-DNA covalent bond in Refmac or > Phenix? > > Thanks in advance, > > Best wishes, > > Cristina > > > -- > Cristina Machón Sobrado, PhD > Instituto de Biología Molecular Barcelona-CSIC > Parc Científic de Barcelona > c/ Baldiri Reixac 10 > 08028 Barcelona > Spain > > Phone: +34934034957 > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > <https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1> ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
