I have a situation where I manually edited my PDB file to rename MET to MSE, then made the appropriate change to change all “ SD" atoms in MSE to “SE “. When I optimize the geometry with Real Space Refine Zone, the amide proton (H) moves several Å way, and the Torsions error goes to 2.24.
Do you have any idea what’s causing this? _________________________________ Mark A. Saper, Ph.D. Associate Professor of Biological Chemistry, University of Michigan Ann Arbor MI 48109-1055 U.S.A. [email protected] phone (734) 764-3353 fax (734) 763-4581
