Dear fellow RDKitters, I have an SD file with 2D molecules generated by another Cheminformatics toolkit (yes, there are others! ;-) ). When I depict them with RDKit (with Draw.MolToImage()) they look very condensed with too short bonds and just appear not right. When I re-generate the coordinates by using Compute2DCoord(), the structure drawings do look great, but RDkit re-calculates all coordinates and the orientation of the whole molecule is completely changed. Can I avoid this, keep the original orientation of the molecules and just do something like "apply drawing settings" or "use standard bond lengths" to a molecule?
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Many thanks in advance. Kind regards, Axel ------------------------------------------------------------------------------ _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
