Convert chemistry files
Free, no sign-up. It runs in your browser on Athanor’s own engine, and your structures never leave your device.
Reads ChemDraw CDX and CDXML, Marvin MRV, MOL, SDF, SMILES, XYZ, MOL2, CML and RXN, up to 200 files at once, in your browser.
Pick a conversion
The result appears here, with a picture of every structure.
How to do it
Choose what you have and what you want.
Paste the structures, or open a file.
Press Convert, then copy or download the result.
What it reads and writes today
This converter reads SMILES, MOL files (V2000 and V3000) and SDF files, many at once, and writes SMILES, MOL files (V3000), SDF files, and PNG and SVG pictures. ChemDraw CDX and CDXML, Marvin MRV, and the 3D formats XYZ, MOL2 and PDB, convert on their own pages: pick the pair above.
What a conversion keeps
Athanor’s engine was checked on 1,222 structures from its own library, each sent from SMILES to a MOL file and back, and compared by RDKit with stereochemistry included: 1,212 came back as exactly the same molecule, with every R/S and E/Z label. The ten that did not show the three gaps the engine still has: a radical (as in nitric oxide or TEMPO) is not yet written into MOL files; the E/Z of a double bond inside a very large ring can be lost; and a metal sandwich compound such as ferrocene is written with multi-center bonds, which some programs read differently. The converter reads every MOL file it writes back again and marks any structure that does not come back the same.
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