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by @danabra.mov
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by @jimpick.com
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by @atsui.org
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MDCompress (www.biorxiv.org/content/10.6...) is our recent proposal for storing molecular dynamics simulations. Try if you feel that your XTC files are too big or need random access features. Great collaboration with Travis Wheeler's lab.
5mo
Motivation: Molecular dynamics (MD) simulations model the physical movements of atoms in biomolecular systems over time, providing atomic-resolution insight into conformational changes, binding events...
www.biorxiv.org
MDCompress: better, faster compression of molecular dynamics simulation trajectories
Sebastian Deorowicz