Molara is a Python package for the visualization of chemical structures such as molecules or crystals. It provides a graphical user interface for importing structures from output files of popular computational chemistry software as well as for creating custom structures.
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Implement measurement during trajectory visualization #358
Currently, one can measure the distance, angles, dihedrals of trajectory if stopped.
It would be nice to be able to choose 2-4 atoms and then show the change during the trajectory in a plot similar to the energy plot.
It would need be needed to compute the quantity of interest for all structures in the trajectory and then plot it.
The selected atoms would have to be set throughout the visualization.
Currently, one can measure the distance, angles, dihedrals of trajectory if stopped.
It would be nice to be able to choose 2-4 atoms and then show the change during the trajectory in a plot similar to the energy plot.
It would need be needed to compute the quantity of interest for all structures in the trajectory and then plot it. The selected atoms would have to be set throughout the visualization.