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Article ID: 1374 - Last Modified:

How do I apply crystallographic symmetry in a Prime refinement?

When setting up the Prime refinement, click Options in the Refinement panel, and select Use crystal symmetry in the General section. The refinement will then use the crystallographic data from the CRYST1 line in the PDB file to impose the appropriate boundary conditions in the structural refinement. The structure that you are refining must already have the crystallographic data available to do this.

If you are running refinestruct from the command line, add the following keyword to your input file:


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