Chemistry3

Avogadro 2

Build molecules in 3D and set up computational chemistry: draw and optimise structures with force fields, generate input for NWChem, Gaussian, ORCA and Psi4, and visualise orbitals, vibrations and electron density from the results.

Chemistry

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Ketcher

Chemical structure editor: draw molecules and reactions, check valences, generate SMILES/InChI, and edit macromolecules (peptides, RNA/DNA, CHEM) — with the Indigo cheminformatics engine compiled to WebAssembly so every calculation runs locally.

Chemistry

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Mol*

Molecular visualisation for structural biology and chemistry: renders proteins, nucleic acids, ligands, density maps and trajectories in the browser, reading mmCIF, PDB, SDF, MOL2, XYZ and MDTraj formats. The viewer behind RCSB PDB and PDBe.

Chemistry

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