论文标题
molcontroller：用于操纵分子的VMD图形用户界面
Molcontroller: a VMD Graphical User Interface for Manipulating Molecules
论文作者
论文摘要
视觉分子动力学（VMD）是理论模拟社区中使用最广泛的分子图形软件之一。但是，到目前为止，在执行一些建模任务时，它仍然缺乏用于分子操作的图形用户界面（GUI）。例如，所选分子（S）或分子部分的翻译或旋转，目前只能使用TCL脚本来实现。在这里，我们使用TCL脚本为VMD开发了一种用户友好的GUI，名为Molcontroller，它可以通过允许用户快速，方便地执行各种分子操作来提供。此GUI可能有助于提高VMD用户的建模效率。
Visual Molecular Dynamics (VMD) is one of the most widely used molecular graphics software in the community of theoretical simulations. So far, however, it still lacks a graphical user interface (GUI) for molecular manipulations when doing some modeling tasks. For instance, translation or rotation of a selected molecule(s) or part(s) of a molecule, which are currently only can be achieved using tcl scripts. Here, we use tcl script develop a user-friendly GUI for VMD, named Molcontroller, which is featured by allowing users to quickly and conveniently perform various molecular manipulations. This GUI might be helpful for improving the modeling efficiency of VMD users.
