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(_assessment of UseCase1 is work in progress_)
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Fig 1: Screenshot of a pRVS VMD visualization for UseCase1. Default view and menu for loading/saving the state.
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* predefine some default view and enable comprehensive analysis work
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flows for the user (Fig 1).
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* interactively replicate the unit cell (_not yet identified_)
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Fig 2: menu for various types of analysis.
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Fig 3: Selection of molecules and analysis of bonds
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Fig 4: analysis of dipole moments. |
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