六大化学绘图软件的比较.pdf

1 Chemical Structure Drawing Softwares. Comparison of ISIS and Symyx (MDL) Draw, ChemDraw (ChemBioDraw), DrawIt (ChemWindow), ACD/ChemSketch and Chemistry 4-D Draw Dr. Tamas E. Gunda University of Debrecen, POB 70, H-4010 Debrecen, Hungary, e-mail: tgunda2@puma.unideb.hu Internet access: http://dragon.unideb.hu/~gundat/rajzprogramok/dprog.html Last modified: 29-06-2008 Introduction The immense development of microelectronics has banished the use of typing machine, drawing pen, Indian ink and templates. Instead, text editors like MS Word, Corel WordPerfect, Lotus WordPro, etc. are of general use today. With the aid of these one can create professional looking articles and drawings, and a large amount of time for the rewriting, redrawing and making corrections can be spared as well. The creation of chemical structures with the conventional drawing software packages would be extremely painstaking and practically impossible. With publication in mind aesthetics and quality come to the front, ensured by built-in templates, bonds constrained to fixed length and angles, etc. Direct 3D editing is usually not possible – 3D features of a molecule can be visualised only by using the wedged/hashed bond drawing methodology. The availability of different tools (palette of fonts, arrows, lines and curves, arcs and other shapes or graphic primitives, etc.) is also of high importance. If a true 3D representation of the molecule is needed, its import from a modelling program or 3D database is the most feasible arrangement (although the recent drawing applications usually contain a simple 2D → 3D converter module). The presented