VMD: a graphical tool for the modern chemists

Abstract

VMD is a great tool for displaying and modifying chem. structures. It easily reads different input files and displays the mols. in many modes. With the interplay between different drawing, selection, and coloring methods it is possible to generate outstanding and clearly arranged representations of bioorg. mols. Nevertheless, there are a few bugs that have to be removed. As the Linux version works nearly perfect, the Windows NT version has to be improved, as many menus, including the Help and the SIM menu, do not work. Addnl., the pull-down menu should also work with a two-button mouse, and many of the hotkeys should be fixed. Last, but not least, in both versions the graphical output as GIF or JPG should be added, and it would be nice if the POV Ray input produced the same image as displayed in the VMD graphical window. Hence, future improvements should also aim at the Windows users. In summary, VMD is a highly useful graphical interface for chemists and biochemists. [on SciFinder(R)]