Molly - A Fast Reader and Writer for the XTC File Format

Zenodo (CERN European Organization for Nuclear Research) 2026 Open access

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Authors: M. S. S. Westendorp, Tsjerk A. Wassenaar
DOI: 10.5281/zenodo.18902574
Cited by: 0

Abstract

A fast reader and writer for the Gromacs xtc file format implemented in pure Rust. Features selective frame and atom reading, buffered I/O, and Python bindings.

Fields of Study & Subjects

Scientific Computing and Data Management Protein Structure and Dynamics Computational Physics and Python Applications

Publication details

Journal / source
Zenodo (CERN European Organization for Nuclear Research)
Publication date
7 March 2026
Language
EN