Tags

stereochemistry (18.0)

What (free) tools will generate 3D coordinates with correct stereochemistry from SMILES?

How do I change the stereochemistry of atoms in my 3D molecules?

Which OpenBabel dev version methods should be used for altering stereochemistry?

Erroneous stereoisomer generating 2D sdf from SMILES (using gen2d). BUG in openbabel 2.3.0?

Can the SDF format be used with 0D data and still preserve stereochemistry?

What is the stereochemistry data model in your cheminformatics library?

Convert wedge bonds into tetrahedral chirality?

Does the Standard InChI include stereochemistry?

Does there exist a database where stereochemistry of compounds plays a role in their activity?

Has anyone got experience of round-tripping 2D SDF-SMILES-SDF and its effect on stereochemistry?

Looking for solution to convert structures with perspective views to accurate representations

How should unspecified tetrahedral stereochemistry be represented in a 2D molfile?

Questions about double bond stereochemistry

What is the best way to display unknown or unspecified double bond stereochemistry?

SMILES to SDF (+ Stereochemistry)

How can I calculate the SMILES with no stereochemistry in Pybel?

How to represent bold bonds

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