@@ -31,7 +31,9 @@ or start VMD manually on the commandline:
(_assessment of UseCase1 is work in progress_)
![vmd_screenshot1](vmd_screenshot-1.png"Fig 1")
![vmd_screenshot1](vmd_screenshot-1.png"Fig 1: Screenshot of a pRVS VMD visualization for UseCase1. Default view and menu for loading/saving the state")
Fig 1: Screenshot of a pRVS VMD visualization for UseCase1. Default view and menu for loading/saving the state.
* predefine some default view and enable comprehensive analysis work
flows for the user (Fig 1).
...
...
@@ -63,8 +65,11 @@ or start VMD manually on the commandline:
* interactively replicate the unit cell (_not yet identified_)
![vmd_screenshot1](vmd_screenshot-2.png"Fig 2")
![vmd_screenshot1](vmd_screenshot-2.png"Fig 2: menu for various types of analysis")
Fig 2: menu for various types of analysis.
![vmd_screenshot1](vmd_screenshot-3.png"Fig 3")
![vmd_screenshot1](vmd_screenshot-3.png"Fig 3: selection of molecules and analysis of bonds")
Fig 3: Selection of molecules and analysis of bonds
![vmd_screenshot1](vmd_screenshot-4.png"Fig 4")
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![vmd_screenshot1](vmd_screenshot-4.png"Fig 4: analysis of dipole moments")
