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I have 2 CHAP profiles for two aligned ion channels.
The channels are different in height and therefore have different centres of mass but their channels are aligned. when I plot their profiles they are not aligned, presumably because of the difference in them COMs.
I typically plot the radius against data["pathwayProfile"]["s"]. Would it be possible to plot against the z-coordinate? All simulation frames are aligned
Thanks
The text was updated successfully, but these errors were encountered:
Unfortunately, there is no option to change the pathway coordinate from COM to z-coordinate.
In future releases of CHAP, we plan to add this feature.
Regarding your plots:
You could find the z-coordinate of the COM of the structures (for example with MDAnalysis) and shift the data["pathwayProfile"]["s"] array by adding constants such that the radius profiles are aligned.
Hi CHAP team,
I have 2 CHAP profiles for two aligned ion channels.
The channels are different in height and therefore have different centres of mass but their channels are aligned. when I plot their profiles they are not aligned, presumably because of the difference in them COMs.
I typically plot the radius against
data["pathwayProfile"]["s"]
. Would it be possible to plot against the z-coordinate? All simulation frames are alignedThanks
The text was updated successfully, but these errors were encountered: