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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?
The text was updated successfully, but these errors were encountered:
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.
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?
The text was updated successfully, but these errors were encountered: