With the obabel -s option you can specify the number of matches within a single molecule, e.g. find molecules with more than 2 benzene rings. Try obabel -L ops s for details.
(Maybe obgrep's c option was originally going to do this?) Chris On 08/08/2013 09:43, Noel O'Boyle wrote: > Or just look at stderr, where it prints "3 molecules converted". > > - Noel > > On 8 August 2013 09:43, Noel O'Boyle <baoille...@gmail.com> wrote: >> I think it would be easy to add as a general option to all filters. Chris? >> >> In the meanwhile, "wc -l" will work I guess (needs Cygwin on windows). >> >> - Noel >> >> On 8 August 2013 09:38, Pascal Muller <pascal.jm.mul...@gmail.com> wrote: >>> >>> >>> >>>> If obabel does it, it always does it better: >>>> >>>> (...) >>> >>> >>> Ok... I need to think to the -s option instead of obgrep, then. >>> I found the -v option (invert the matching), but is there an equivalent to >>> the obgrep -c option (number of matches)? >>> >>> >>>> >>>> I'm in favour of replacing all obgrep, etc. with symlinks to obabel. >>> >>> >>> Maybe a good idea. >>> >>> Many thanks, >>> Pascal >>> >>> ------------------------------------------------------------------------------ >>> Get 100% visibility into Java/.NET code with AppDynamics Lite! >>> It's a free troubleshooting tool designed for production. >>> Get down to code-level detail for bottlenecks, with <2% overhead. >>> Download for free and get started troubleshooting in minutes. >>> http://pubads.g.doubleclick.net/gampad/clk?id=48897031&iu=/4140/ostg.clktrk >>> _______________________________________________ >>> OpenBabel-discuss mailing list >>> OpenBabel-discuss@lists.sourceforge.net >>> https://lists.sourceforge.net/lists/listinfo/openbabel-discuss >>> > > ------------------------------------------------------------------------------ > Get 100% visibility into Java/.NET code with AppDynamics Lite! > It's a free troubleshooting tool designed for production. > Get down to code-level detail for bottlenecks, with <2% overhead. > Download for free and get started troubleshooting in minutes. > http://pubads.g.doubleclick.net/gampad/clk?id=48897031&iu=/4140/ostg.clktrk > _______________________________________________ > OpenBabel-discuss mailing list > OpenBabel-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss > ------------------------------------------------------------------------------ Get 100% visibility into Java/.NET code with AppDynamics Lite! It's a free troubleshooting tool designed for production. Get down to code-level detail for bottlenecks, with <2% overhead. Download for free and get started troubleshooting in minutes. http://pubads.g.doubleclick.net/gampad/clk?id=48897031&iu=/4140/ostg.clktrk _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
