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 high-resolution PNG images with transparent backgrounds in standard mode or black backgrounds in red/blue 3D mode, ready for figures, presentations and teaching materials. • Export molecular structures and surfaces as GLB or USDZ 3D models, and trajectories, molecular vibrations and model rotation as USDZ animations. Save images and models to Files or share them through the system share menu. • Edit atoms, bonds and geometries, then optimise structures with UFF or MMFF94s force fields. • Generate quantum-chemistry input files, including ab initio molecular dynamics workflows, plus XYZ, MOL2, CIF and PDB files. • Play XYZ and DCD trajectories, inspect changing molecular structures and measurements, and visualise dynamic bonds and hydrogen bonds. • Visualise molecular orbitals with fast on-device GPU calculation, and explore signed CUBE scalar fields. Connect to a remote server running Multiwfn for additional wavefunction analysis. • Organise files locally, import from other apps, or connect to your SSH/SFTP server for remote file browsing and terminal work.