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When using wildcards in a SMARTS substructure search, the JSME editor cannot draw the structure.
JSME uses Openchemlib.js to convert SMILES/SMARTS to structures. This does not always work for wildcards as it seems, e.g.:
*C -> AC
AC causes error when pasting
A structure with an 'any atom' can be drawn that gives that smile: *1cncnc1
but this cannot be converted by jsem/openchemlib back to the structure
The text was updated successfully, but these errors were encountered:
Also CDK cannot help, since the SMARTSParser.parse returns an IAtomQueryContainer which cannot be used in MoleculeWriter; and there is no way yet to convert IAtomQueryContainer to an IAtomContainer (that I know of)
When using wildcards in a SMARTS substructure search, the JSME editor cannot draw the structure.
JSME uses Openchemlib.js to convert SMILES/SMARTS to structures. This does not always work for wildcards as it seems, e.g.:
A structure with an 'any atom' can be drawn that gives that smile: *1cncnc1
but this cannot be converted by jsem/openchemlib back to the structure
The text was updated successfully, but these errors were encountered: