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RDKit_​renderer_​problem

sketch anSDF molecule witha double cis/trans bondmolecule to dataRDKit SDF representation: CORRECTRDKit RDKit-object representation: CORRECTRDKit to SMILES:1. CORRECT SMILES string but2. WRONG RDKit representation for SMILES(cis/trans represented as trans)WRONG RDKit representation for SMILES(cis/trans represented as trans)CORRECT Marvin representation for SMILES(cis/trans represented as cis/trans) Molecule Widget Variable toTable Row Molecule Type Cast RDKit From Molecule RDKit Canon SMILES Renderer to Image Renderer to Image sketch anSDF molecule witha double cis/trans bondmolecule to dataRDKit SDF representation: CORRECTRDKit RDKit-object representation: CORRECTRDKit to SMILES:1. CORRECT SMILES string but2. WRONG RDKit representation for SMILES(cis/trans represented as trans)WRONG RDKit representation for SMILES(cis/trans represented as trans)CORRECT Marvin representation for SMILES(cis/trans represented as cis/trans)Molecule Widget Variable toTable Row Molecule Type Cast RDKit From Molecule RDKit Canon SMILES Renderer to Image Renderer to Image

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Created by: giovannicincilla
Created at: 2022-11-29
On NodePit since: 2022-11-30
Last update: 2024-04-29
Created with KNIME version: v4.6.1

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