marrink-lab / vermouth-martinize

Describe and apply transformation on molecular structures and topologies
Apache License 2.0
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Add support for oxDNA file parsing #536

Open jan-stevens opened 10 months ago

jan-stevens commented 10 months ago

This PR implements a file parser of oxDNA configuration files to read in rotational frames for residues. The initial goal is to use the file parser to implement a frame-based backmapping processer in Polyply.

Info on the file format can be found here.