Magpie - Molecular Analysis

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. • Export molecular structures and surfaces as GLB or USDZ 3D models, and trajectories, molecular vibrations and model rotation as USDZ 3D animations. • Edit atoms, bonds and geometries, then optimise structures with UFF or MMFF94s. • Generate quantum-chemistry input files, including ab initio molecular dynamics 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. • Visualise molecular orbitals and electrostatic potential (ESP)-coloured molecular surfaces from supported wavefunction files with one tap, with Multiwfn installed on your remote server.