Hi all, I'm trying to solve a structure with an unnatural amino acid not in the coot or ccp4 libraries, and I'd like to be able to mutate a preliminary structure to have this amino acid for further refinement. I successfully created a .cif file using libcheck and sketcher in CCP4 (specified when created to be an L-peptide), and by converting this to a SMILES file, was able to load it into coot and see it on the screen. I am also able to directly import the residue by clicking "import cif dictionary", and importing the files created using libcheck and sketcher. The following things are true either way I import the residue: In coot, when i go to edit restraints, it recognizes the residue, and I can make changes; however, when I open the simple mutate window, the unnatural amino acid I have imported does not show up. Is there another way to do this? I don't know of another way to make a mutation in coot to an amino acid not listed in the simple mutate window, even after the residue's cif file has been imported. I'm running WinCoot 0.6.1 revision 2470 on a Windows 7 PC.
Thanks all for your help, Scott
