Batch clean molecules from an sd file

Hi,





When I am trying to clean set of molecules using ‘Standardizer 5.1.2’ the output remains same as my input. My input is an sd file and the desired output also the same. The input, output and snapshot files have been attached for your reference.





How can we clean all the similar molecules in an sdf?





Thank you,





Regards,


Henry Jermiah

Please attach also the standardizer configuration file. You can save the configuration XML file in "Create configuration" step.





Zsolt

Hi





Required file has been attached.





Thanks in advance.





Henry

Hi,





Your Standardizer configuration file does not contain any actions:

Code:

<?xml version="1.0" encoding="UTF-8"?> <!--This file is created with ChemAxon's Configuration Builder--> <!--This is a configuration file for ChemAxon's Standardizer--> <StandardizerConfiguration>   <Actions/> </StandardizerConfiguration>

I attached the corrected configuration file (full_clean_configuration.xml). Also attached the output of the standardization performed with the corrected configuration file.





Zsolt

Yeah Zsolt, now it is working great.





Thanks





Henry