dsh-crystal-viewer

In the crystal-structure solution and refinement pipeline, many pivotal calls boil down to a quick look: is the cell sensible, is the space group correct, have R1 and wR2 converged, are there large unassigned Q peaks, is the coordination geometry an octahedron or a square plane? dsh-crystal-viewer provides DeepSeek Harness with a natural inspection window so you can answer these questions at a glance without leaving your terminal session.

Built on a modified 3Dmol.js WebGL renderer, the plugin supports line, stick, ball-and-stick, CPK, and coordination-polyhedron display styles, and automatically closes the full SYMM plus LATT symmetry set so high-symmetry groups such as Fm-3m or Im-3 render a complete unit cell. Three packing modes (In Cell, Original, No Packing) let you toggle between the full symmetry cell, raw coordinates, and the true asymmetric unit. A live seven-group parameter panel surfaces refinement statistics, cell parameters, symmetry details, element and atom counts, and the top five Q peaks; the Q-peak layer is an independent, toggleable overlay. Registered as a DSH file previewer, clicking any .cif, .ins, .res, .xyz, .mol, or .pdb file in the file tree opens it directly in 3D within the sidebar.

The plugin is aimed at crystallographers and anyone whose workflow relies on rapid visual inspection during structure solution or refinement. It is a pure viewer, not a computation engine, and makes no refinement or geometry-solve decisions. All parsing and rendering run locally, and the interface follows the Harness light/dark theme automatically.