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 .. |overview| image:: _static/overview.png .. |new| image:: _static/new.svg :width: 28 .. |open| image:: _static/open.svg :width: 28 .. |mol| image:: _static/molecular.svg :width: 28 .. |job| image:: _static/job.svg :width: 28 .. |pose| image:: _static/pose.svg :width: 28 .. |share| image:: _static/share.svg :width: 28 .. |box| image:: _static/box.svg :width: 28 .. |grid| image:: _static/bounding.svg :width: 28 .. |save| image:: _static/image.svg :width: 28 .. |cpu| image:: _static/cpu.svg :width: 28 .. |cmd| image:: _static/cmd.svg :width: 28