Or Avogadro, or Cinfony's webel (both of which use CIR under the hood). - Noel
On 23 March 2011 15:07, Igor Filippov [Contr] <filipp...@mail.nih.gov> wrote: > Benoit, > > I don't think OpenBabel supports it out of the box. > There are other free/open solutions - OPSIN from Peter Murray-Rust, > converts IUPAC names into structures, and CIR - converts anything into > anything as long as it's one of 100 million molecules in our database: > > http://cactus.nci.nih.gov/chemical/structure > > > Regards, > Igor > > On Wed, 2011-03-23 at 06:27 -0400, Benoit Gauzere wrote: >> Hi, >> I'd would like to know if open babel is able to convert a molecule >> name, such as "butane" for example, in the related molecular >> structure ? >> >> This fonctionnality exists in ChemDraw but I don't find it in the open >> babel documentation. >> >> Thanks, >> Benoit Gaüzère. >> >> >> -- >> Benoît Gaüzere >> benoit.gauz...@gmail.com > > > > ------------------------------------------------------------------------------ > Enable your software for Intel(R) Active Management Technology to meet the > growing manageability and security demands of your customers. Businesses > are taking advantage of Intel(R) vPro (TM) technology - will your software > be a part of the solution? Download the Intel(R) Manageability Checker > today! http://p.sf.net/sfu/intel-dev2devmar > _______________________________________________ > OpenBabel-discuss mailing list > OpenBabel-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss > ------------------------------------------------------------------------------ Enable your software for Intel(R) Active Management Technology to meet the growing manageability and security demands of your customers. Businesses are taking advantage of Intel(R) vPro (TM) technology - will your software be a part of the solution? Download the Intel(R) Manageability Checker today! http://p.sf.net/sfu/intel-dev2devmar _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
