MULTAN computer program

The best approach to date to automatic structure solution is the direct method (DM), introduced by Hauptmann,154 Jerome Karle,155 and Isabella Karle,156 and made possible by efficient computer programs, such as MULTAN (Main,15 Germain,158 and Woolfson59) and SHELX... 

Main, P. MULTAN 80 A System of Computer Programs for the Automated Solution of Crystal Structures from X-ray Diffraction Data Universities of York and Louvain York, England, and Louvain, Belgium, 1980. 

A number of very successful computer programs have heen developed which make use of such techniques to solve crystal stractures. Many of these are highly automated, so much so that one need not necessarily he fuUy aware of the underlying theory to use them. Such programs are SHELX-76 and SHELXS-84 hy G. M. Sheldrick and MULTAN, YZARC, and MAGIC by M. M. Woolfson. ... 

The three dimensional structure was obtained by means of single crystal X-ray diffraction. CuKa radiation, a graphite monochromator, and a photomultiplier tube were used to collect 1825 total reflections on an automated diffractometer. Of these, 1162 were used for the analysis. Figure 2 shows a computer generated drawing of halcinonide. The position of the chlorine atom was not clear from the Patterson map, but the direct method program "MULTAN" gave its position. 

---