Magpie - Molecular Analysis
iOS app by Yuchen Zhou. Education · Yuchen Zhou
- Store rating
- 0 / 5
- Store rating count
- 0
- Download price
- Free to download
- In-app purchases
- Unknown
- Version
- 1.0
- Listing last refreshed
- 2026-09-12
View the original store listing
Store description excerpt
Magpie is a free molecular visualisation and scientific post-processing app for iPhone and iPad, designed for computational chemistry research, teaching and learning. KEY FEATURES • Open and inspect computational chemistry outputs, molecular coordinates, trajectories and volumetric data. • Explore interactive 3D structures, vibrational modes, reaction paths, spectra and potential-energy surfaces. • Edit atoms, bonds and geometries, then optimise structures with UFF or MMFF94s. • Generate ORCA and Gaussian inputs, including ORCA AIMD workflows, plus XYZ, MOL2, CIF and PDB files. • Load XYZ and DCD trajectories and visualise molecular orbitals, ESP and signed CUBE scalar fields. • Organise files locally, import from other apps, or connect to an authorised SSH/SFTP server for remote browsing, terminal work and optional Multiwfn-assisted analysis.
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