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533. CDRAFT: Chemical Draftsman
by L. Watt and J. Kao, Philip Morris, U.S.A., Research Center, P.O. Box 26583, Richmond, Virginia 23261 CDRAFT (Chemical Draftsman) was written in response to the need to provide chemists with a friendly and interactive tool to display their work. In the past, displays for publications or presentations were usually first drawn by hand or with the use of stencils and transfer symbols and then given to the graphics arts department. Since many revisions were usually needed, the time to produce just one display could be both lengthy and frustrating. CDRAFT, however, provides all the basic tools and allows chemists to produce their own displays with relative ease and within shorter periods of time. CDRAFT also allows its users to input structures saved in files with various formats specific to theoretical tools (e.g., molecular orbital, molecular mechanics or molecular descriptor calculations). These structures can be displayed in a 3-d perspective view or can be displayed showing bond types (single, double, triple, etc.). More than one structure may be brought in or built using the template to show reactions. Roman and Greek characters can be added to a display. Special symbols (such as wedges, arrow, brackets, and orbital representations) are also available and can easily be added. CDRAFT provides the means to have text, structures and special symbols in color. The program described here includes many enhancements and new features to the version described in "Chemical Draftsman (CDRAFT)" by the same authors which appears in Computers and Chemistry, 9, 269 (1985). FORTRAN 77 Lines of Code: 8352 NOTE: To utilize CDRAFT, one needs the TEKTRONIX PLOT- 10 Graphics Library. This is not delivered with the system by QCPE. |