On the application of phase relationships to complex structures. VI. Automatic interpretation of electron-density maps for organic structures
M. H. J. Koch · Acta Crystallographica Section A · 1974
This paper describes a procedure for the automatic interpretation of electron-density maps of organic structures which makes use of the restrictions on the values of the intramolecular bond distances and angles. It is also shown how some chemical-data processing algorithms can be used as an efficient means of introducing chemical information in the process of structure determination.