Hi All,
I'm needing to write the title line (the first line in the record) for
MDL formats.
I'm using SDFWriter.write(mol) to write out the SD file.
I've found that you can do this be setting the property
CDKConstants.TITLE (which has a value of "cdk:Title") of the
IAtomContainer to the value you want in the title line , but you also
get this written as a SD file property, which is not what I want.
Is there a way of better controlling this?
Tim
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