v0.3.1

What's Changed

• Add manual ESP cmap range support and docs examples by @JamesOBrien2 in #116
• Overlay config + transparency + haptic bug + atom opacity. by @aligfellow in #119
• Added option for using ASE GUI for orientation by @JamesOBrien2 in #110
• Adjusted --nci-surf to work for both "low-field" and "high-field" NCI analyses methods. by @JamesOBrien2 in #120
• Added CVD palettes and fixed coolwarm palette by @jonathandip in #123
• Remove quad-nested for loops for pbc tiling by @scohenjanes5 in #124
• add bounce rotation. Structure moves from starting position to +- DEG… by @iribirii in #121
• Glow effect by @iribirii in #122
• Remove redundancies by @scohenjanes5 in #126
• Fix NCI RDG cube misclassified as high_field by @JamesOBrien2 in #133
• Add atom filtering (--exclude and --only) by @JamesOBrien2 in #131
• added orientation by type, and better substructure matching and fallback by @aligfellow in #138
• Add --vib-frames for smoother TS vibration GIFs by @JamesOBrien2 in #132
• clean up mo handling, emit iterweaved z-order like nci. Added mo-outl… by @aligfellow in #139
• Improve outline handling with atom spheres by @aligfellow in #142
• Interlocking spheres by @aligfellow in #143
• added overlay-ts option for graphrc and manual ts spec on overlay geom by @aligfellow in #144
• allow gif-ts and gif-bounce by @aligfellow in #145
• Bond style by @aligfellow in #146
• Isolated atoms in tube styles are rendered as circles. by @aligfellow in #147
• reorganise documentation by @aligfellow in #149
• Updates to v0.3.0 by @aligfellow in #150
• Fix bond colour double-darkening in btube/pmol by @jonathandip in #151

New Contributors

• @jonathandip made their first contribution in #123

Full Changelog: v0.2.6...v0.3.1