xyzrender: Publication-quality molecular graphics from the command line.
Abstract
What's Changed Add manual ESP cmap range support and docs examples by @JamesOBrien2 in https://github.com/aligfellow/xyzrender/pull/116 Overlay config + transparency + haptic bug + atom opacity. by @aligfellow in https://github.com/aligfellow/xyzrender/pull/119 Added option for using ASE GUI for orientation by @JamesOBrien2 in https://github.com/aligfellow/xyzrender/pull/110 Adjusted --nci-surf to work for both "low-field" and "high-field" NCI analyses methods. by @JamesOBrien2 in https://github.com/aligfellow/xyzrender/pull/120 Added CVD palettes and fixed coolwarm palette by @jonathandip in https://github.com/aligfellow/xyzrender/pull/123 Remove quad-nested for loops for pbc tiling by @scohenjanes5 in https://github.com/aligfellow/xyzrender/pull/124 add bounce rotation. Structure moves from starting position to +- DEG… by @iribirii in https://github.com/aligfellow/xyzrender/pull/121 Glow effect by @iribirii in https://github.com/aligfellow/xyzrender/pull/122 Remove redundancies by @scohenjanes5 in https://github.com/aligfellow/xyzrender/pull/126 Fix NCI RDG cube misclassified as high_field by @JamesOBrien2 in https://github.com/aligfellow/xyzrender/pull/133 Add atom filtering (--exclude and --only) by @JamesOBrien2 in https://github.com/aligfellow/xyzrender/pull/131 added orientation by type, and better substructure matching and fallback by @aligfellow in https://github.com/aligfellow/xyzrender/pull/138 Add --vib-frames for smoother TS vibration GIFs by @JamesOBrien2 in https://github.com/aligfellow/xyzrender/pull/132 clean up mo handling, emit iterweaved z-order like nci. Added mo-outl… by @aligfellow in https://github.com/aligfellow/xyzrender/pull/139 Improve outline handling with atom spheres by @aligfellow in https://github.com/aligfellow/xyzrender/pull/142 Interlocking spheres by @aligfellow in https://github.com/aligfellow/xyzrender/pull/143 added overlay-ts option for graphrc and manual ts spec on overlay geom by @aligfellow in https://github.com/aligfellow/xyzrender/pull/144 allow gif-ts and gif-bounce by @aligfellow in https://github.com/aligfellow/xyzrender/pull/145 Bond style by @aligfellow in https://github.com/aligfellow/xyzrender/pull/146 Isolated atoms in tube styles are rendered as circles. by @aligfellow in https://github.com/aligfellow/xyzrender/pull/147 reorganise documentation by @aligfellow in https://github.com/aligfellow/xyzrender/pull/149 Updates to v0.3.0 by @aligfellow in https://github.com/aligfellow/xyzrender/pull/150 Fix bond colour double-darkening in btube/pmol by @jonathandip in https://github.com/aligfellow/xyzrender/pull/151 New Contributors @jonathandip made their first contribution in https://github.com/aligfellow/xyzrender/pull/123 Full Changelog: https://github.com/aligfellow/xyzrender/compare/v0.2.6...v0.3.1
Fields of Study & Subjects
Advanced Chemical Physics Studies
Computer Graphics and Visualization Techniques
Advanced Physical and Chemical Molecular Interactions
Publication details
- Journal / source
- Zenodo (CERN European Organization for Nuclear Research)
- Publication date
- 8 March 2026
- Language
- EN