jcsearch for the substructure search

User 80d15742d5

29-04-2013 13:50:40

Hi,


what option can I use for the substructure search using jcsearch program to have in the results no extra hydrogens other than explicitly drawn. (or to take into account all hydrogens  explicitly drawn while searching). 


 


Best regards,


Tanya


 



ChemAxon abe887c64e

29-04-2013 14:06:40

Hi Tanya,


You can use implicitHMatching search option, see documentation:


http://www.chemaxon.com/jchem/doc/user/query_queryfeature_searchoptions.html#implicithmatch


and there are possibilities for adding extra atom properties to the query structures, e. g. H<n>,  s<n>, .. available on Advanced tab of Periodic system in MarvinSketch, see description here:


https://www.chemaxon.com/jchem/doc/user/query_features.html#atprop


Best regards,


Krisztina

User 80d15742d5

29-04-2013 15:48:45

Thanks for your answer.