standardization option in fragmenter xml file

User 4b8a3205dc

23-05-2007 06:40:54

In fragmenter configaration file there is standardiser option given


Like" <Action ID="aromatize" Act="aromatize"/>"


I gave options like dearomatize ,hydrogenize and dehydrogenize in xml file.Its working well also.But its not working with other options of standardizer like clean,clean:3d,tautomerize etc its showing error message








Standardizer object creation failed:





Do i need to do something extra than editing the xmlk file?





Warm regards,


JIJI

ChemAxon e08c317633

02-07-2007 16:12:04

Hi,





Please read the following part of the Fragmenter documentation: http://www.chemaxon.com/jchem/doc/user/Fragmenter.html#config





The standardization steps specified in the <Standardizer> section are used for controlling the reactions (the cleavage rules). If you want to generate e.g. output molecules in 3D, then run the Standardizer on the output structures you get.





Please attach the XML configuration file, the input and output (result) files, and specify the exact command line call you have used when you got the message "Standardizer object creation failed:".





Best regards,


Zsolt