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schrodinger / pymol-open-source

Open-source foundation of the user-sponsored PyMOL molecular visualization system.
https://pymol.org/
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get_sasa_relative: Add subsele argument #202

Closed speleo3 closed 3 years ago

speleo3 commented 3 years ago

This patch adds a subsele argument to the get_sasa_relative command. It allows me to query relative side chain exposure.

Example:

fetch 1ubq
get_sasa_relative polymer, subsele=sidechain
JarrettSJohnson commented 3 years ago

Looks good! Just gave it a quick test. Feel free to add a test to pymol-testing and a comment on PyMOL Wiki if you're free. If not, I'll add it when I do a quick round of those areas next week. :)

speleo3 commented 3 years ago

Thanks for merging! (what time is it? ;-)) I'll follow up soon with test and wiki.