Rosetta Peptoid Params to Centroid Converter

Python script to generate centroid params files for the then current Rosetta peptoids

Description

This script converts a Rosetta peptoid normal.params file into a centroid.params file. The conversion modifies the parameters to reflect centroid-level representation, simplifying the molecular details for low-resolution modeling in Rosetta.

Usage

python peptoid_centroid_gen.py '<input.params>' <output_dir>

Arguments

• <input.params>: Path to the input Rosetta .params files
• <output_dir>: Path to the output directory

Author

Allon Goldberg
Research Assistant
Flatiron Institute, CCB, Biomolecular Design Group
6/2024