GUI LayoutΒΆ

../../_images/make_receptor_launch4.png
make_receptor layout

The layout of the MakeReceptor GUI, shown above, is divided into five general areas.

  • Menu

    • File

      • Open

        Open molecules from a file.

      • Open Recents

        Opens a recently opened molecule file.

      • Save Receptor

        Saves the receptor to a file. The receptor shape must be defined before this option can be used.

      • Clear

        Deletes all receptor data and molecules and opens the molecules edit mode.

      • Quit

        Quits MakeReceptor.

    • Extract

      • Protein

        Extracts the protein structure from the receptor into a molecule file.

      • Ligand

        Extracts the bound ligand from the receptor into a molecule file.

      • Box

        Extracts the box enclosing the receptor site into a molecule file. The molecule file will have 8 carbon atoms, one at each vertex of the box.

    • Display

      These options all relate to the 3D display window.

      • Hydrogens

        Turn on and off display of hydrogens in the 3D window.

      • Protein

        Sets the protein display mode.

      • Ligand

        Sets the ligand display mode.

      • Box

        Sets the box display mode.

      • Outer Contour

        Sets the display mode of the outer contour.

      • Inner Contour

        Sets the display mode of the inner contour.

      • Constraints

        Sets the display mode of the constraints.

      • Disable Hardware Rendering

        Disables OpenGL hardware rendering. Useful for Windows machines experiencing driver related 3D graphical issues.

    • Help

      • About

        Reports the version of the program.

      • Documentation

        Opens a browser window to OpenEye’s web documentation.

  • Workflow Stage Selector

    These buttons control the overall workflow to set up a receptor. Most stages of the workflow must be finished before progressing to the next stage. When the next stage of the workflow is available its button will highlight here and the next button (described below) will become available. The workflow for setting up a receptor is described in detail in the setting up a receptor section.

  • Workflow Stage Controls

    The controls for each stage of the workflow setup are located in this area. As your progress through the stages of the setup process, controls for each stage will appear here. The workflow for setting up a receptor is described in detail in the setting up a receptor section.

  • 3D Display

    A 3D display of the current state of the receptor and its associated data.

  • Next Mode Button

    Selects the next stage of the setup receptor workflow once the current stage has been properly setup.