Cart 2

Convert SMILES to 3D structure

Convert SMILES to 3D structure(.pdb, .mol or .sdf format)

Input SMILES below

1. Input SMILES:

2. Select a output format:

Common formats for chemicals

SMILES (Simplified Molecular Input Line Entry System) is a chemical notation that allows a user to represent a chemical structure in a way that can be used by the computer.

"MOL" — MDL MOL format (.mol)

"SDF" — MDL SDF format (.sdf)

"PDB" — The Protein Data Bank Format is commonly used for proteins but it can be used for other types of molecules as well. It was originally designed as, and continues to be, a fixed-column-width format and thus officially has a built-in maximum number of atoms, of residues, and of chains; this resulted in splitting very large structures such as ribosomes into multiple files.