Structures Hampden Data Services

The change in the cyclic structures, now drawn in the more contemporary notation for which Hampden Data Services are to be thanked continues. The book is also now available as an electronic database, with all the improved ease of searching for cross-references or related materials which that brings. In future, it is proposed to supplement this rather more frequently than the new editions of the book will appear. 

PsiGen (the structure drawing module of Hampden Data Services PSIDOM software) (26). 

Two examples will serve to illustrate the value of the SMD IMPORT utility. The Hampden Data Services PsiORAC software permits a complete reaction data card to be treated on a PC in SMD format. We have now used SMD IMPORT to load some 10,000 such cards into an OR AC data base (held on a DEC VAX computer). The second example involves the automatic generation of an ORAC database of 40,000 reactions from raw data contained in (1) a file of starting material and product structures held in a DARC-SMS data base, and (2) an ASCII file containing pointers to these structures plus additional data. With a modest amount of effort, a conversion program was written which, as shown in Figure 2, made use of an existing DARC to SMD utility and also merged the structures with the other data to create a reaction data base in SMD format. This was then loaded into an ORAC data base in the usual way. 

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