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Support PMX-style receptor reference atom selection #12

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Description

This PR adds support for an alternative method for selecting receptor atoms for use in the alignment restraints, based on PMX at commit 3b135ad

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  • Ready to go

@SimonBoothroyd SimonBoothroyd changed the title [SepTop] Support PMX-style receptor reference atom selection Support PMX-style receptor reference atom selection May 20, 2024
@SimonBoothroyd SimonBoothroyd force-pushed the sb/add-pmx-atom-selection branch from 448c60e to 373ab70 Compare May 20, 2024 14:18
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