OpenChemistry/avogadroapp: Avogadro 1.98.0 ...

• Main Authors: Geoff Hutchison, Marcus D. Hanwell, Weblate bot, ovari, Chris Harris, Brad King, Oğuz Ersen, David Cole, Milo Ivir, Allan Nordhøy, Aritz Erkiaga, Gustavo Sousa Jr, nbehrnd, NorwayFun, willow88, Silvério Santos, Kavin Teenakul, DDinghoya, Koen Roggemans, Reza, matterhorn103, Ahmad Abdolmaleki, Andi Chandler, Andrés Henao, dnandz, Patrick Avery, Regen Tsai, B Adarsh, simmon
• Format: Article in Journal/Newspaper
• Language: unknown
• Published: Zenodo 2023
• Subjects: Orca
• Online Access: https://dx.doi.org/10.5281/zenodo.10045259; https://zenodo.org/doi/10.5281/zenodo.10045259

???? Highlights (tldr) Integration with 3Dconnexion input devices on Mac and Windows Many thanks to 3Dconnexion and Patryk Skowroński (@pskowronskiTDx) for this contribution (#1311) Improved rendering including ambient occlusion and real-time shadows from @aerkiaga New template tool for assembly of inorganic complexes and ligands or attaching functional groups (e.g, "click to add phenyl group") from @aerkiaga (#1075) New forcefield framework supporting external Python scripts (e.g., XTB, ASE, ANI-2x, etc.) @ghutchis (#1370) Better perception of bond orders @ghutchis Align tool (#1364) @ghutchis Manual translate / rotate dialog Fetch molecule names from PubChem, including markup Commands to create centroid and center-of-mass points Improved "fill unit cell" (#1375) Preview images of insert molecule fragments and import crystals Build improvements, including initial support for Qt6 and VTK9 fixes @cryos Integrated Orca ouputfile support (from Orca-enhanced Avogadro) (#1326) Add a generic compchem output reader ...