Structure format transformation

SMILES InChI Mol PDB

Structure format transformation is a computing process based on RDKit to transform molecules between SMILES, InchI, InchIKey, Mol block, and PDB block formats. The details of this algorithm are available at dfwlab/cyclicpepedia on GitHub.

It will take some time for creating 3D conformations. The generation of PDB block requires additional stereochemical information. The larger the molecule, the longer the optimization time.


Input your structure

Parameters

3D conformation

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