Molcontroller: A VMD Graphical User Interface Featuring Molecule Manipulation
Chenchen Wu, Shengtang Liu, Shitong Zhang, Zaixing Yang
Abstract
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 currently only can be achieved using tcl scripts. Here, we use the Tcl/Tk toolkit to 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.
Topics & Concepts
Graphical user interfaceMolecular graphicsScripting languageComputer scienceHuman–computer interactionUser interfaceSoftwareGraphicsInterface (matter)User FriendlyTranslation (biology)Computer graphics (images)Computer graphicsProgramming languageOperating systemChemistryGeneBiochemistryBubbleMaximum bubble pressure methodMessenger RNAProtein Structure and DynamicsScientific Computing and Data ManagementEnzyme Structure and Function