On 18 December 2010 13:23, Carsten Niehaus <[email protected]> wrote: > Moin moin > > I am coding an c++-application using OpenBabel for the chemistry. > > I am using chem-file.sf.net as the database. > > > I would like to check if a given file is for example an alcohol or a > ketone. So far I think that I could use obgrep for this: > > Â obgrep 'OH' foo.smi > > for alcohols, but I'd like to use the c++-API and furthermore I have > either mol- or cml-file, but not .smi files. > > Is this possible using cml or mol-file? > > > Thanks, > > Carsten > > PS: Only the 2.2.x-API is available, the 2.3.0 has not been generated to > far (it seems): http://openbabel.org/api/2.2.0/index.shtml
2.3.0 now redirects to 2.3, which was the correct link. > ------------------------------------------------------------------------------ > Lotusphere 2011 > Register now for Lotusphere 2011 and learn how > to connect the dots, take your collaborative environment > to the next level, and enter the era of Social Business. > http://p.sf.net/sfu/lotusphere-d2d > _______________________________________________ > OpenBabel-discuss mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss > ------------------------------------------------------------------------------ Lotusphere 2011 Register now for Lotusphere 2011 and learn how to connect the dots, take your collaborative environment to the next level, and enter the era of Social Business. http://p.sf.net/sfu/lotusphere-d2d _______________________________________________ OpenBabel-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
