Supported Formats

Know which molecule and reaction formats AtomLens can open and which formats it can write back out.

Input formats

AtomLens can open a broad set of common chemistry formats on iPad.

• Molecule formats: MOL, SDF, SMILES, CXSMILES, InChI, MOL2, PDB, XYZ, CML, and RGfile.
• Reaction formats: Reaction SMILES, RInChI, RXN, RDF, and reaction CML.
• Plain text import also supports pasted chemistry strings and blocks.

Save formats

Available save choices depend on the current molecule, selected reaction participant, or whole reaction. MOL and SDF accept V2000 and V3000 input; standard SMILES export does not preserve every CXSMILES extension.

• Molecule save choices cover Molfile, SDF, SMILES, isomeric SMILES, InChI, MOL2, PDB, XYZ, CML, and RGfile when the current structure supports it.
• Reaction save choices cover RXN, RDF, Reaction SMILES, RInChI, and reaction CML.
• Formats that AtomLens cannot reopen as chemistry documents are kept out of Managed Repository save choices.