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3D coordinates best options: CDK, RDKit, OpenBabel… anything else?

Which cheminformatics library is the best to assign 3D coordinates to a structure file, RDKit or CDK? (best quality of the results) I'm looking for a free equivalent for CORINA. h …

asked Jan 15 at 19:22

David García Aristegui
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Is Balloon a “free” equivalent for CORINA?

"Balloon creates 3D atomic coordinates from molecular connectivity via distance geometry and confomer ensembles using a multi-objective genetic algorithm. The input can be SMILES, …

asked Dec 29 at 8:04

David García Aristegui
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balloon corina 3d coordinates

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3D coordinates best options: CDK, RDKit, OpenBabel… anything else?

Is Balloon a “free” equivalent for CORINA?

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