Convert SMILES to XYZ
Free, no sign-up. It runs in your browser on Athanor’s own engine, and your structures never leave your device.
SMILES in
or paste it
XYZ (3D) out
How to do it
Choose a file, or paste it.
Athanor’s own engine reads it in your browser and writes the new format.
Download the result.
How it works
Turn a SMILES string into an XYZ file with 3D coordinates for every atom, hydrogens included. Athanor builds the 3D shape with its own engine, the one in the Athanor app, so nothing is uploaded. Every stereocenter and double bond you defined keeps its shape; one you left open is given a definite one, as any 3D structure must.
MOL2 is read back after converting and compared by InChIKey. XYZ and PDB hold coordinates and elements but not bond orders, so they are not read back. For a 3D model you can turn and measure, open the structure in the 3D molecule viewer.
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