Koradi R, Billeter M, Wüthrich K
Institut für Molekularbiologie und Biophysik, Eidgenössische Technische Hochschule-Hönggerberg, Zurich, Switzerland.
J Mol Graph. 1996 Feb;14(1):51-5, 29-32. doi: 10.1016/0263-7855(96)00009-4.
MOLMOL is a molecular graphics program for display, analysis, and manipulation of three-dimensional structures of biological macromolecules, with special emphasis on nuclear magnetic resonance (NMR) solution structures of proteins and nucleic acids. MOLMOL has a graphical user interface with menus, dialog boxes, and on-line help. The display possibilities include conventional presentation, as well as novel schematic drawings, with the option of combining different presentations in one view of a molecule. Covalent molecular structures can be modified by addition or removal of individual atoms and bonds, and three-dimensional structures can be manipulated by interactive rotation about individual bonds. Special efforts were made to allow for appropriate display and analysis of the sets of typically 20-40 conformers that are conventionally used to represent the result of an NMR structure determination, using functions for superimposing sets of conformers, calculation of root mean square distance (RMSD) values, identification of hydrogen bonds, checking and displaying violations of NMR constraints, and identification and listing of short distances between pairs of hydrogen atoms.
MOLMOL是一个用于显示、分析和操作生物大分子三维结构的分子图形程序，特别侧重于蛋白质和核酸的核磁共振（NMR）溶液结构。MOLMOL具有带菜单、对话框和在线帮助的图形用户界面。显示方式包括传统展示以及新颖的示意图，还可在分子的一个视图中组合不同展示方式。共价分子结构可通过添加或去除单个原子和键进行修改，三维结构可通过围绕单个键的交互式旋转进行操作。通过使用用于叠加构象集、计算均方根距离（RMSD）值、识别氢键、检查和显示违反NMR约束情况以及识别和列出氢原子对之间短距离的功能，做出了特别努力以允许对通常用于表示NMR结构测定结果的20 - 40个构象集进行适当的显示和分析。
