Thanks for the help, the issue is solved. Here a short summary in case anybody else has the same problem:
1) Add pointer atom in Coot NH2 and create link to C-terminal residue 2) create cif file with correct link description 3) modify LINK record in PDB to correct residues/ link name 4) refine in Refmac with cif as LIB in Thanks especially to Maike and Augen Bernhard Begin forwarded message: From: Bernhard Lechtenberg <blechtenb...@sanfordburnham.org<mailto:blechtenb...@sanfordburnham.org>> Subject: [ccp4bb] Add C-terminal amide Date: October 29, 2013 6:32:37 PM PDT To: <CCP4BB@JISCMAIL.AC.UK<mailto:CCP4BB@JISCMAIL.AC.UK>> Reply-To: Bernhard Lechtenberg <blechtenb...@sanfordburnham.org<mailto:blechtenb...@sanfordburnham.org>> Hello experts, I am currently working on a structure of a protein-peptide complex. The peptide was synthesized with a C-terminal amide group. What is the best way to add this in Coot and refine in Refmac? I did a search on the web but only found a protocol for CNS not for Coot/Refmac. Thanks for the help. Bernhard Bernhard C. Lechtenberg, PhD Postdoctoral Fellow Riedl Lab Sanford-Burnham Medical Research Institute 10901 North Torrey Pines Road La Jolla, CA 92037, USA Phone: 858.646.3100 x 4216 Email: blechtenb...@sanfordburnham.org<mailto:blechtenb...@sanfordburnham.org>
