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madscatt / zazzie

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GNU General Public License v3.0
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Plotly plotting for Contrast Calculator #197

Open madscatt opened 3 weeks ago

madscatt commented 3 weeks ago

Add a new file to organize and create plot data for the module. Use the JSON formatting as done in multicomponent analysis so that integration with GenApp is straightforward.

skrueger111 commented 2 days ago

@madscatt: Contrast calculator now write a JSON file, xxx_general.txt.json, where "xxx" is chosen by the user, with all information needed to make the four plots consistent with those in the production version. The attached ZIP file contains examples of the json files, python scripts that I used to test the plots using the plotly test utility in the genapp advanced tutorial and a readme.txt file listing the order for the plots. Note that I made a separate script for each plot since that was the easiest way for me to test the individual plots. files_scripts_for_plotting.zip

skrueger111 commented 2 days ago

My test Scattering Length Density plot. I tested may other types of complexes (protein-RNA, protein-lipid, DNA-deuterated RNA, etc.), so hopefully we won't find too many bugs once we are able to start testing the new contrast calculator.

Screenshot 2024-09-27 at 2 34 49 PM