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giorginolab / vmd_diffusion_coefficient

Computing Diffusion Coefficients in Macromolecular Simulations: The Diffusion Coefficient Tool for VMD
https://doi.org/10.21105/joss.01698
BSD 3-Clause "New" or "Revised" License
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Printout functionality #10

Closed jrperilla closed 4 years ago

jrperilla commented 4 years ago

It would be nice to add a button to the GUI to call the ‘printout’ procedure, in case a user wants to write data to a specified file without resorting to exporting the data from the Multiplot window.

tonigi commented 4 years ago

Done in 159ff92f7229eb1aa2c39a8aeb3e480bf9b32e45 et al. , as a "save" button. Saves a CSV with tau/MSD/D and headers to reproduce the computation.