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Add bridge time series and split analysis to hbond command #948
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Ensure part data is communicated.
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Version 6.2.9.
This PR adds two new functionalities to
hbond
:bseries
keyword (and associatedbseriesfile <filename>
keyword) for saving time series data for bridges (similar toseries
for hydrogen bonds). Addresses an item in Potential enhancements to 'hbond' #392. The data sets are created with an aspect that includes the atom/residue indices being bridged for easier selection.splitframe <comma-separated-list>
keyword for doing "split" analysis on hydrogen bond averaged data. Works similar to thesplitframe
keyword in clustering where overall results are reported, followed by the results for each individual part as delineated by the comma-separated list of frame numbers given to thesplitframe
keyword.Example output (2 parts):
Both of these work in parallel as well. Adds a test and updates the manual.