Magpie - Molecular Analysis

Magpie - Molecular Analysis

by Yuchen Zhou

0 ratings
Free

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Details

  • Released
  • Updated
  • August 5, 2026
  • August 11, 2026

Features

Magpie - Molecular Analysis screenshot #1 for iPhone
Magpie - Molecular Analysis screenshot #2 for iPhone
Magpie - Molecular Analysis screenshot #3 for iPhone
iphone
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About

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, coordinate and volumetric data files.• Explore interactive 3D molecular structures, trajectories and vibrational modes.• Edit atoms, bonds and molecular geometries.• Generate computational chemistry input and coordinate files.• Review calculation summaries, spectra, reaction paths and potential-energy surfaces.• Visualise volumetric data and molecular-orbital surfaces.• Organise files in a local workspace.• Optionally connect directly to an authorised SSH/SFTP server for remote file access and terminal workflows.
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What's New in Magpie

0.9

August 11, 2026

Magpie 0.9 expands wavefunction visualization, file management, and iPhone usability: • Generate electrostatic potential surfaces directly from compatible remote wavefunction files with the new Quick ESP workflow. Generation, download, and loading progress are shown throughout, and the color range is fitted before the first render. • Adjust ESP coloring with an editable blue–white–red scale. Auto uses the potential values sampled on the currently displayed isosurface and correctly handles positive-only, negative-only, and mixed-sign ranges. • Save paired remote CUBE files or Quick ESP results together with Save Both. Choose an existing Local folder or create a new one; unique filenames prevent existing files from being overwritten. • Create folders, move files by dragging them into folders or the parent directory, navigate with the pinned ../ entry, and optionally show hidden files from Settings. • Added support for .mwfn, .gms, .wfn, and .wfx wavefunction files. Quick Molecular Orbital generation now uses isolated temporary files to protect existing CUBE files with the same names. • Added a persistent trajectory-loop setting and improved default playback speeds based on each file’s frame count. • Fixed iPhone Pro Max and Plus models incorrectly using the iPad-style wide layout. Also improved iPhone landscape layouts, keyboard-aware text entry, and scrollable Surface controls.

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