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iFit/sw_createpcr

PURPOSE

SW_CREATEPCR(path, pcrFile, perm) creates the structural part of a pcr

SYNOPSIS

function sw_createpcr(path, pcrFile, perm)

DESCRIPTION

 SW_CREATEPCR(path, pcrFile, perm) creates the structural part of a pcr
 file from a .cif file.

 This function will create the atomic positions from a .cif file.
 pcr file is the control file for FullProf Rietveld refinement software.

 perm  Permutation of the (x,y,z) coordinates.

CROSS-REFERENCE INFORMATION

This function calls:

sw_createpcr SW_CREATEPCR(path, pcrFile, perm) creates the structural part of a pcr

This function is called by:

sw_createpcr SW_CREATEPCR(path, pcrFile, perm) creates the structural part of a pcr