Dear all, I was wondering if there was a good way to generate a restraint file for ligands that are covalently bound to two sites of the same protein. Just to clarify, the ligand can be viewed as a "bridge" between two residues of the same protein monomer.
At present, I use JLigand to prepare the separate links (so two separate files). However, you can't combine both CIF files without software running into errors. If I use either the ligand CIF (without links) or the CIF of the singly covalent version, the refinement will still work fine, because the LINK in the PDB file is present. But I'm wondering if there is no better way to do this. Thanks in advance, Rens ######################################################################## 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/