Magpie - Molecular Analysis

Magpie 1.05 adds support for ORCA GOAT conformational sampling workflows, including input preparation and conformer analysis, alongside improved SSH session continuity, two-way file drag and drop, and Apple Pencil editing: • Generate ORCA GOAT inputs and explore final conformer ensembles with synchronised 3D structures, relative-energy charts and population charts. Adjust the temperature to see how calculated Boltzmann populations change. • SSH sessions can now stay active temporarily when you switch apps or lock your device, within the background time allowed by the system. A custom Lock Screen Live Activity shows your SSH connection. When you return, Magpie checks the connection and continues the existing session if available, or preserves terminal history and prompts you to reconnect if needed. • Drag files and folders into Local or the current SSH directory, or drag them out to other apps. Upload and download complete server folders with their directory structure preserved and clear transfer progress. Incoming items use unique names to avoid overwriting existing files. • Edit molecules with Apple Pencil on compatible devices. Preview atom, functional-group and structure placement with hover, double-tap to cycle bond orders in Add Atom mode, and squeeze to open or dismiss element and fragment pickers. • Adding atoms and fragments is more responsive, especially when extending larger structures. Geometry controls now retain selected atoms when leaving a bond-length, angle or dihedral adjustment. • Added more implicit solvent options. Configure ORCA AuxJ and AuxC auxiliary basis sets independently. Reset in Generate now restores the preview from your current settings while keeping your options and filename. • Refined Liquid Glass controls, pointer feedback and file context-menu previews. Improved iPad sidebar resizing and periodic-table and menu layouts on iPadOS 27. • Improved readability of potential-energy surfaces and contour plots. Fixed trajectory playback, vibrations and automatic rotation pausing while scrolling. • Fixed crashes that could occur when using a mouse to open or delete files.