ISIS/Draw

ISIS/Draw is a chemical structure drawing program for Windows, published by MDL Information Systems. It is available free of charge for academic and personal use. It acts 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 The first version of the program was released in 1990, and the latest version is 2.5, but has since been superseded by Symix Draw.

ISIS/Draw uses its own proprietary file format, with the extension .skc, and also supports standard chemical file formats such as MDL molfile, Rxnfile, and TGfile. Because of its role as a database query preparation program, ISIS/Draw supports 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 is mainly a 2D drawing program, it has some 3D rotation features and can interface with Rasmol for 3D visualization and rendering. ISIS/Draw also includes structure and reaction validation features and can calculate elementary properties such as formula and molecular weight.

References

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* 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.

External links

* [http://www.mdl.com/products/framework/isis_draw/index.jsp Product page at MDL website]
* [http://www.mdl.com/micro/draw31/index.html Symix Draw product page]
* [http://www.mdl.com/downloads/public/ctfile/ctfile.pdf MDL file formats]