Authors: Trina Norden, Jim Stewart & Nick Spadaccini

Contact: Jim Stewart, Department of Chem/Biochem,

University of Maryland, College Park, MD 20742;

FOGNU produces any volume of space from an electron density map of the modulo one unit cell. The output map will have the same grid and orientation as the input map, only the limits of the map may be changed according to user commands. The map may be output as a new binary file readable by MAKBRK, CONTRS, etc. or printed or both.

Method

The input map from file map is read line by line, generating any additional points required on the line and writing each expanded line to the output as it is formed. Thus maps of very large size may be handled. The limitation is only in terms of the the maximum number of points in the third sum direction. This number cannot exceed the value of the XTAL macro bdfbuf:, an installation specific value usually greater than 500.

File Assignments

Reads Fourier map from file map

Writes expanded Fourier map to file mag

Example

FOGNU

LAYOUT 0 .5 0