Convert SMILES to an image

From a string to a drawing

Athanor lays out each SMILES the way a chemist would draw it, with rings in their usual orientation and labels where they belong, then draws it in the ACS Document 1996 style. Each structure gets its own PNG and SVG.

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.