I'm a relative newbie to Knime and the Indigo toolkit, testing out Substructure Matcher. I've seen it give errors with some complex structures.
The error is
Execute failed: CMF saver: Internal error: Value 13.931871 is outsize of [-12.275800, 12.275800]
I've seen this occur for a couple of input structures.
- Is there an easy way to eliminate problematic structures before calling a component?
- Have you thought about making the Substructure Matcher catch bad structure input, spit them out as errors and continue to the next record? This would be useful.
Two zipped examples of molfiles that show the error are attached.
Best regards, Mitch