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

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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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