On Thu, Oct 04, 2012 at 10:26:17AM -0300, Alessandro Nascimento wrote: > Hi OB users, > > > I am facing some problems with OBConformerSearch API (C++). > > I just downloaded openbabel source code from SVN, compiled using g++ > (Eigen, Zlib, Cairo were previously installed from ubuntu > repositories) and everything went fine during openbabel compilation. > > So far, so good. > > I compiled the example in the API page > (http://openbabel.org/api/2.3/obconformersearch_default_8cpp-example.shtml), > everythong went fine as well. > > However, when I try to use the code with any molecule, I get an error > message that does not provide many clues:
Works for me. By any chance do you have also system installation of Open Babel? If that is the case, then you have to set up environment variables to point to your build dir and make sure you link against the right libopenbabel.so, something along these lines: $ alias obpath='LD_LIBRARY_PATH=/home/my/Hack/OpenBabel/build_trunk/lib/ BABEL_LIBDIR=/home/my/Hack/OpenBabel/build_trunk/lib/ BABEL_DATADIR=/home/my/Hack/OpenBabel/openbabel-git/data/ PYTHONPATH='\''/home/my/Hack/OpenBabel/openbabel-git/scripts/python/:/home/my/Hack/OpenBabel/build_trunk/lib/'\''' $ obpath g++ obcstest.cpp -o obcstest -I ../openbabel-git/include -I ../build_trunk/include -L ../build_trunk/lib -lopenbabel $ obpath ./obcstest mol.mol2 Does it happen with every file you try? Try something like this to generate test file: $ obabel -:"CCCNC" -omol2 mol.mol2 -h --gen3D > > Although I am not an expert in GDB, it really looks like > OBConformerSearch::Setup has a problem I couldn't identify. > > Did someone else report the same problem or a solution for this? I haven't seen such reports. Reinis ------------------------------------------------------------------------------ Don't let slow site performance ruin your business. Deploy New Relic APM Deploy New Relic app performance management and know exactly what is happening inside your Ruby, Python, PHP, Java, and .NET app Try New Relic at no cost today and get our sweet Data Nerd shirt too! http://p.sf.net/sfu/newrelic-dev2dev _______________________________________________ OpenBabel-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
