Batch clean molecules from an sd file

User 39a721b0a5

31-10-2008 05:24:04

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

ChemAxon e08c317633

31-10-2008 12:47:20

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





Zsolt

User 39a721b0a5

31-10-2008 13:04:04

Hi





Required file has been attached.





Thanks in advance.





Henry

ChemAxon e08c317633

03-11-2008 09:33:32

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

User 39a721b0a5

03-11-2008 09:55:17

Yeah Zsolt, now it is working great.





Thanks





Henry