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
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modeller-care@salilab.org            http://www.salilab.org/modeller/
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