marrink-lab / polyply_1.0

Generate input parameters and coordinates for atomistic and coarse-grained simulations of polymers, ssDNA, and carbohydrates
Apache License 2.0
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[3] Prepare support for multiple backmapping protocols #340

Open jan-stevens opened 11 months ago

jan-stevens commented 11 months ago

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).