fragment flag in jc_compareb

Hi.


What flag should I use to tell the jc_compare to disregard fragmenst (smaller) and only consider the largest one when searching ?





/Mikael

Mikael,





You have the possibility to specify a custom standardizer configuration as you create your JChem table. If you specify "keepone" as your standardizer configuration, only the largest fragments will be looked at during searches. (See http://www.chemaxon.com/jchem/doc/admin/#create to learn how to specify standardizer configuration; http://www.chemaxon.com/jchem/doc/user/Standardizer.html#actionstring for a simple configuration interface or http://www.chemaxon.com/jchem/doc/user/Standardizer.html for more advanced options).





It is important to note, that all searches on a given table will be affected by the standardizer configuration specified during table creation. Still, you will be able to retrieve the original structure (for purposes such as displaying it) "intact" from the cd_structure field.





Peter

To change the standardizer configuration of an existing JChem table you can use the regeneration function of jcman ( http://www.chemaxon.com/jchem/doc/admin/#regener ).

We plan to implement an option (in a future JChem version) that can be used on a search-by-search basis to specify that only the largest fragments should be included in searches. So you will be able to control this feature individually for each search operation.