User 55ffa2f197
30-08-2013 12:56:14
Hi, i am using following to instantiate the MolSearch obj, but some of these are marked as depreacted. I am using JChem 5.11.4 library. What is the contemporary method to replace this,
Thanks
Dong
MolSearch mss = new MolSearch();
final MolSearchOptions msp = new MolSearchOptions();
msp.setSearchType(SearchOptions.SUBSTRUCTURE);
mss.setSearchOptions(msp);
mss.setQuery("[NR][CR](=O)[CR]");
mss.setTarget(molecule);