Magpie - Molecular Analysis

Computational chemistry workspace for visualising molecules, preparing inputs, analysing results, and working remotely via SSH.

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.