Hi George, In your CCP4 installation there is a file called mon_lib_list.cif which has a few examples of the correct syntax. You can for instance use the description of a peptide bond.
HTH, Robbie On 17 Sep 2018 19:05, George Lountos <[email protected]> wrote: Hi all: I want to adjust a .cif file for a ligand that is covalently attached to a threonine residue and wanted to make the link between the Thr residue and ligand planar. I think adding the following line would be the way to define this. _chem_link_plane_atom.atom_id My question is how do I correctly format the atom id (i.e. list of atoms in the plane) after this line with the atoms so that REMFAC can properly recognize them. Thanks for your suggestions, George ________________________________ To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
