On May 4, 2009, at 4:50 AM, Vincent Le Guilloux wrote:
> Hi,
>
> I have an exception while parsing a SMART string using a
> SMARTQueryTool:
>
> csp[i] = new SMARTSQueryTool("O=C1NCCSc2ccccc12");
>
> The exception message is the following:
>
> org.openscience.cdk.exception.CDKException: The string
> O=C1NCCSc2ccccc12 is not a valid SMARTS string: Encountered "Sc" at
> line 1, column 8.
> Was expecting one of:
> <EOF>
> "!" ...
> "-" ...
The parser is misreading the Sc part as scandium rather than a sulphur
followed by an sp2 carbon. So it's a CDK issue. Can yuo file this as a
big report?
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Rajarshi Guha <rg...@indiana.edu>
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