ISIS/Draw

An example of a diagram drawn using ISIS/Draw

ISIS/Draw was a chemical structure drawing program for Windows, published by MDL Information Systems. It was available free of charge for academic and personal use. It acted as a front end to ISIS/Base, a chemical database program from the same company, as well as some other ISIS (Integrated Scientific Information System) products. The first version of the program was released in 1990, and the last version was 2.5 in 2002; it has since been superseded by Symyx Draw.

ISIS/Draw used its own proprietary file format, with the extension .skc, and also supported standard chemical file formats such as MDL molfile, Rxnfile, and TGfile. Because of its role as a database query preparation program, ISIS/Draw supported a variety of special atom and bond types used for substructure searching, such as wildcard atoms, aromatic bonds, and ring bonds, as well as atom mapping, required for reaction searches.

While ISIS/Draw was mainly a 2D drawing program, it had some 3D rotation features and could interface with Rasmol for 3D visualization and rendering. ISIS/Draw also included structure and reaction validation features and could calculate elementary properties such as formula and molecular weight.

Now Accelrys Draw serves as a replacement of ISIS/Draw. The newest version is 4.0, as of March 2011. As with ISIS/Draw, the program is available free to academics.

See also

• MDL Chime

References

General

• Li, Z.; Wan, H.; Shi, Y.; Ouyang, P. (2004). "Personal Experience with Four Kinds of Chemical Structure Drawing Software: Review on ChemDraw, ChemWindow, ISIS/Draw, and ChemSketch". J. Chem. Inf. Comput. Sci. 44 (5): 1886–1890. doi:10.1021/ci049794h. PMID 15446849.{{cite journal}}: CS1 maint: multiple names: authors list (link)
• Johann Gasteiger, Thomas Engel (2003). Chemoinformatics: A Textbook. Wiley-VCH. p. 143. ISBN 3-527-30681-1.
• Dalby, A.; Nourse, J. G.; Hounshell, W. D.; Gushurst, A. K. I.; Grier, D. L. et al. Description of several chemical structure file formats used by computer programs developed at Molecular Design Limited, Journal of Chemical Information and Computer Sciences, 1992, 32, 244-255.
• http://bbruner.org/obc/isis.htm

External links

• Accelrys Draw