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Step 1 - Converting the electron density map to an electron density grid

The first actual step in the process is the conversion of the Xplor formatted electron density map to an electron density grid. This is just a standard transformation from unit cell coordinates to rectangular coordinates. The transformation is described in nearly all crystallography text books. This step is performed by Map2Grid. For those of you who skipped section 2 all the programs are run using command line arguments. Invoking Map2Grid results in the error message:




USAGE: Map2Grid -p[required] Parameter File



which means that the correct way to use Map2Grid is




Map2Grid -p ZZZ.par



where ZZZ.par is the name of the parameter file you created in section 3.



David Diller
1999-02-18