A general xml standardizer

User 26c54ae8b9

05-03-2008 10:43:04

Dear Chemaxon,





I want to search structure and substructure with jcsearch or an another chemaxon tool but i must standardize molecule.





How to standardize all molecule...i search a general xml which stadardize ALL molecule. Some example in chemaxon website doesn't work with all molecule.





I want to transform compexe molecule in a simple molecule ( without charge, vagebond...)





Thanks,





Karim.





Ps : I'm not an chemist, but a computer specialist...

ChemAxon d76e6e95eb

05-03-2008 11:22:06

There is no such "general xml", because the standards might vary company by company. Creating a suitable and chemicall correct standardization configuration usually requires chemists, as no XML writing is needed if they use the Standardizer Application (GUI).





If you prefer writing XML config manually, please see some example actions in our documentation, they should work with simple and multiple input files well.





Did you found an outdated example, please specify the file name and location and we will correct it.





If the action you need is not listed among the existing ones, please send us a detailed decription document of your problem including sample files and screenshots of the input and expected output molecules for examination of the problem.

User 26c54ae8b9

05-03-2008 12:23:56

Hello Gyuri,





Thanks for your response.


I'm testing instantJchem for standardizer.


If result are bad i will send you file example and screenshots.





Karim.