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Time series plot for individual residue (not an issue) #10

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mahaamhamid opened this issue Mar 1, 2024 · 1 comment
Open

Time series plot for individual residue (not an issue) #10

mahaamhamid opened this issue Mar 1, 2024 · 1 comment

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@mahaamhamid
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Not an issue
I am trying to debug the Bridge2 code to find a data structure that might contain value of H bond occupancy for each residue in each frame. Just like a time series analysis but for individual residue. I could do it using the interface by selecting the residue one by one during the filter but is there any more efficient way?

@maltesie
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Hey,
sorry for the late reply. In case this is still interesting: The bonds are saved by pair of residues which are h-bonded at least once across the trajectory. The results are stored in self.initial_results and self.filtered_results for the full data and the selected data in the interface, respectively. I will try to find some time to implement the export of the raw time series data.

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