OpenChemistry/avogadroapp: Avogadro 1.98.0 ...
???? 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...
Main Authors: | , , , , , , , , , , , , , , , , , , , , , , , , , , , , |
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Format: | Article in Journal/Newspaper |
Language: | unknown |
Published: |
Zenodo
2023
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Subjects: | |
Online Access: | https://dx.doi.org/10.5281/zenodo.10045259 https://zenodo.org/doi/10.5281/zenodo.10045259 |
Summary: | ???? 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 ... |
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