I have a large list of molecules with their Canonical SMILES and a few properties on an excel document.
I used to excel reader and the molecule from SMILES to create the molecule object. However, when I write to SDF with the SD writer, I notice that the atom coordinates aren't generated. So when I view the SDF, the atoms are all connected with the right bonds, but they're all located at the origin.
The HTML Molecular Table Viewer shows decent 2D images from the SMILES. Is there a better way to generate atom coordinates so a viewable image could be rendered from the SDF?
Thanks,
EWong
I used to excel reader and the molecule from SMILES to create the molecule object. However, when I write to SDF with the SD writer, I notice that the atom coordinates aren't generated. So when I view the SDF, the atoms are all connected with the right bonds, but they're all located at the origin.
The HTML Molecular Table Viewer shows decent 2D images from the SMILES. Is there a better way to generate atom coordinates so a viewable image could be rendered from the SDF?
Thanks,
EWong