On 6/14/13 9:56 AM, David Johnson wrote: > I am trying to model a mutation of a molecule whose .pdb file contains > the asymmetric unit as well as definitions for its symmetry operations. > I would like to determine the effects on the biological assembly a given > mutation may have and would therefore like to include the space group > symmetry in the model. I have looked through the online manual and have > thus far been unable to produce such a model. Modeller doesn't have any support for crystallographic symmetry. It doesn't read the symmetry operations from PDB files, and also has no support for periodic images or boundary conditions. The closest I think you can get in Modeller is to use the existing symmetry restraint (see http://salilab.org/modeller/9.12/manual/node28.html) and make a few copies of your asymmetric unit, but it'll be expensive because you'll have to model those copies as well. Ben Webb, Modeller Caretaker -- modeller-care@salilab.org http://www.salilab.org/modeller/ Modeller mail list: http://salilab.org/mailman/listinfo/modeller_usage