remoteviz/UseCase1_vmd.md

@@ -12,42 +12,45 @@ establish a TurboVNC connection to the MPCDF remote visualization service [[as d
 ~>vglrun vmd
 ```
 
-### Instructions for working with the GUI
+### Instructions for working with the GUI (_assessment of UseCase1 is work in progress_)
 
+![vmd_screenshot1](vmd_screenshot-1.png "Fig 1")
 
    1. predefine some default view and enable comprehensive analysis work
-   flows for the user
-   - you can save and load views (screen shot 01).
-   - you can use different graphic representations - points, bonds, `VDW'
-   - atoms as spheres, etc. (screenshots 02 and 03).
-   I did not find volume rendering like in Visit but the spheres may by
-   opaque or transparent which gives a volumetric impression.
+   flows for the user (Fig 1).
+   - save and load views.
+   - use different graphic representations - points, bonds, `VDW'
+   - atoms as spheres
+   
 
    2. basic user interaction:
    a) start, pause, continue time evolution
-   - you can load different molecules and switch between them (screenshots
-   04 and 05). I did not find any "player" functionality like in VisIt or
-   I just cannot use it correctly maybe.
+   - load different molecules and switch between them (screenshots
+   04 and 05). 
+   - no default "player" functionality like in VisIt or ParaView
+   
    b) rotate, transfer, zoom in or out, change the number of shown unit
    cells
-   - all works - you can even leave the model rotating by itself - exept
-   "change the number of shown unit cells" - this I did not find
+   - all works 
+
    c) determine species type and atom number by clicking the sphere
    representing that atom
-   - you can do various types of analysis (screenshots 06, 07 and 08) but
-   from the menu and not by clicking on the atom. The window is not
+   - types of analysis (Figs 2,3,4) but from the menu and not by simply clicking on the atom. The window is not
    interactive.
+
    d) change the iso-value for the density, colour scale for the
    volumetric data
-   - you can do changes in graphical representation like coloring method,
-   surface opacity, resolution, etc. (screenshots 09, 10 and 11).
-   3. select a plane and display a colour map or a contour plot of the
-   (interpolated) volumetric data
-   - you can do a clipping plane (screenshot 12) but I did not find any
-   contour plots.
+   - not yet identified
+
    4. calculate the density integral within a 3D box selection
-   - did not find
+   - not yet identified
    5. display distances, angles, and dihedral angles by selecting atoms
-   - I think it is not possible
+   - not yet identified
    6. interactively replicate the unit cell
-   - did not find.
+   - not yet identified
+
+![vmd_screenshot1](vmd_screenshot-2.png "Fig 2")
+
+![vmd_screenshot1](vmd_screenshot-3.png "Fig 3")
+
+![vmd_screenshot1](vmd_screenshot-4.png "Fig 4")
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