[OpenBabel-Devel] IMPVAL
Hi, I'm reading through the code to try and understand how the implicit valance thing works, as far as I understand it, it's a custom implementation of smarts, it reads through the IMPVAL patterns and when it finds the right match it uses the number after the pattern as the implicit valance. It goes through the whole lot of them so whatever the last match is will be used to define it's actual valance. Is that a good understanding? Is the implicit valance used for all the atoms matched by the SMARTS or just the first atom? Eva -- New Year. New Location. New Benefits. New Data Center in Ashburn, VA. GigeNET is offering a free month of service with a new server in Ashburn. Choose from 2 high performing configs, both with 100TB of bandwidth. Higher redundancy.Lower latency.Increased capacity.Completely compliant. http://p.sf.net/sfu/gigenet___ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
Re: [OpenBabel-Devel] Missing OpenBabel Plugins
I managed to get everything working by convincing Eclipse to make install as well as configuring cmake to install it to a directory that my user had access to, thanks for your help. On 16 January 2015 at 17:03, Noel O'Boyle wrote: > Did you run "make install"? > > On 15 January 2015 at 16:01, Eva Lacy wrote: > > Hi, > > > > I'm trying to compile and run OpenBabel for the first time, and I > managed to > > get as far as running the obabel executable when I noticed it didn't > support > > any format. > > > > Then I noticed that when I typed obabel -L it only returned ops > > > > Here is the output from cmake http://pastebin.com/3YUhLnSH > > > > The build goes fine without a problem > > > > Would appreciate any ideas about what might be causing it. > > > > Eva > > > > > -- > > New Year. New Location. New Benefits. New Data Center in Ashburn, VA. > > GigeNET is offering a free month of service with a new server in Ashburn. > > Choose from 2 high performing configs, both with 100TB of bandwidth. > > Higher redundancy.Lower latency.Increased capacity.Completely compliant. > > http://p.sf.net/sfu/gigenet > > ___ > > OpenBabel-Devel mailing list > > OpenBabel-Devel@lists.sourceforge.net > > https://lists.sourceforge.net/lists/listinfo/openbabel-devel > > > -- New Year. New Location. New Benefits. New Data Center in Ashburn, VA. GigeNET is offering a free month of service with a new server in Ashburn. Choose from 2 high performing configs, both with 100TB of bandwidth. Higher redundancy.Lower latency.Increased capacity.Completely compliant. http://p.sf.net/sfu/gigenet___ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
Re: [OpenBabel-Devel] Missing OpenBabel Plugins
Did you run "make install"? On 15 January 2015 at 16:01, Eva Lacy wrote: > Hi, > > I'm trying to compile and run OpenBabel for the first time, and I managed to > get as far as running the obabel executable when I noticed it didn't support > any format. > > Then I noticed that when I typed obabel -L it only returned ops > > Here is the output from cmake http://pastebin.com/3YUhLnSH > > The build goes fine without a problem > > Would appreciate any ideas about what might be causing it. > > Eva > > -- > New Year. New Location. New Benefits. New Data Center in Ashburn, VA. > GigeNET is offering a free month of service with a new server in Ashburn. > Choose from 2 high performing configs, both with 100TB of bandwidth. > Higher redundancy.Lower latency.Increased capacity.Completely compliant. > http://p.sf.net/sfu/gigenet > ___ > OpenBabel-Devel mailing list > OpenBabel-Devel@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-devel > -- New Year. New Location. New Benefits. New Data Center in Ashburn, VA. GigeNET is offering a free month of service with a new server in Ashburn. Choose from 2 high performing configs, both with 100TB of bandwidth. Higher redundancy.Lower latency.Increased capacity.Completely compliant. http://p.sf.net/sfu/gigenet ___ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
Re: [OpenBabel-Devel] Missing OpenBabel Plugins
On Thu, Jan 15, 2015 at 04:01:58PM +, Eva Lacy wrote: > Hi, > > I'm trying to compile and run OpenBabel for the first time, and I managed > to get as far as running the obabel executable when I noticed it didn't > support any format. > > Then I noticed that when I typed obabel -L it only returned ops > > Here is the output from cmake http://pastebin.com/3YUhLnSH > > The build goes fine without a problem > > Would appreciate any ideas about what might be causing it. > > Eva Most likely you just need to tell Open Babel where the plugins are (especially if running from build dir). Look in the documentation [1], in particular about environment variables LD_LIBRARY_PATH, BABEL_LIBDIR and BABEL_DATADIR. Reinis [1] http://openbabel.org/docs/dev/Installation/install.html#troubleshooting-build-problems -- New Year. New Location. New Benefits. New Data Center in Ashburn, VA. GigeNET is offering a free month of service with a new server in Ashburn. Choose from 2 high performing configs, both with 100TB of bandwidth. Higher redundancy.Lower latency.Increased capacity.Completely compliant. http://p.sf.net/sfu/gigenet ___ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
