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Author Topic: Bicyclo structures ugly rendering in SMILES  (Read 2102 times)

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curiouscat

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Bicyclo structures ugly rendering in SMILES
« on: April 07, 2016, 04:13:18 AM »

Am I doing something wrong? The rendering of bicyclo structures seems ugly in SMILES. Any tricks?

C/C(CO)=C\CCC2(C)C(=C)C1CC2CC1<br />

Compare that to the Wikipedia rendering, which seems like the way this thing is most often rendered in books etc. More pleasing to the eye. Unless I'm overlooking a technical difference?

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sjb

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Re: Bicyclo structures ugly rendering in SMILES
« Reply #1 on: April 07, 2016, 05:36:34 AM »

SMILES rendering is very random. I seem to recall a recent thread about resonance in phenols in which the phenol group was orientated different ways depending on other substituents ( http://www.chemicalforums.com/index.php?topic=85383.0 ). You may be able to get a better (or nicer) image if you use a different string but no guarantees.
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