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Published 20 hours ago • verified publisher icon marrink-lab

[3] Prepare support for multiple backmapping protocols

Open jan-stevens opened this issue 10 months ago • 0 comments

This PR prepares the code to support multiple backmapping protocols with small changes. The main goal is to take out Polyply's default backmapping protocol from the 'Backmap' class and make it a standalone protocol (i.e. orient_by_bonds).

jan-stevens avatar Aug 15 '23 08:08 jan-stevens