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Orientational order parameter #62

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p-j-smith opened this issue May 9, 2021 · 0 comments
Open

Orientational order parameter #62

p-j-smith opened this issue May 9, 2021 · 0 comments
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enhancement New feature or request

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p-j-smith commented May 9, 2021 •
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Is your feature request related to a problem? Please describe.
Currently lipyphilic has a tool to calculate the coarse grained orientational order parameter over individual lipids (rather than along a tail). However, a tool to calculate the orientaitonal order parameter in all-atom systems (as a function of carbon position along a tail) would be very useful.

Describe the solution you'd like
A new analysis class to calculate the orientational order parameter along an acyl tail.

Describe alternatives you've considered

Additional context
See Piggot et al. for a discussion on the correct way to calculate the orientational order parameter, including for unsaturated acyl tails.
@p-j-smith p-j-smith added the enhancement New feature or request label May 9, 2021
@p-j-smith p-j-smith self-assigned this May 9, 2021
@p-j-smith p-j-smith moved this to 🆕 New in lipyphilic 1.0 Mar 11, 2023
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