Overview

overview

1. Toolbar

  • new click to create a new project file

  • open click to open an existing project file

  • mol a toggle button to show or hide molecular list

  • job a toggle button to show or hide job table

  • pose a toggle button to show or hide pose table

  • share a toggle button to show or hide interaction table

  • box a toggle button to show or hide grid box adjusting panel

  • share click to draw a bounding grid box

  • save save the pymol view to a png file

  • cpu view the CPU and memory usage during docking

  • cmd a toggle button to show or hide pymol command input

2. Molecular list

  • a list to display receptors and ligands

  • Go to View menu -> Show Molecular List to show or hide this list

3. Job table

  • a table to show all docking jobs

  • Go to View menu -> Show Job Table to show or hide this table

4. PyMOL view

  • used to visualize the 3D structure of molecules, conformations and interactions

5. Grid box panel

  • a panel for adjusting grid box size and position

  • Go to View menu -> Show Grid Box to show or hide grid box and adjusting panel

6. Pose table

  • a table to show best docking poses for all ligands and receptors as well as poses for certain job

  • Go to View menu -> Show Pose Table to show or hide this table

7. Interaction table

  • a table to show interactions between ligand and receptor for certain pose

  • Go to View menu -> Show Interaction Table to show or hide this table