Electron Density Maps

The xrefin map statement computes an electron density map from $F_c=F_{calc}+F_{part}$. It uses the FFT method at the specified resolution. The user can specify boundaries to reduce the size of the map that is written to the output file. Of particular interest is the MOLEcule=EXTEnd option to write a map that covers selected atoms of the molecule.


Xplor-NIH 2023-11-10