Does initialising an OBConversion object help? At one stage, this was required to load the plugins.
On 17 June 2013 14:21, <[email protected]> wrote: > I am trying to update our openbabel gem > https://github.com/opentox/openbabel-gem because I cannot list or use > descriptors anymore: > > irb(main):001:0> require "openbabel" > => true > irb(main):002:0> OpenBabel::OBDescriptor.list_as_string "descriptors" > => "descriptors is not a recognized plugin type. Those with instances of > sub-types loaded are:\nops\n" > > but the babel executable works as expected: > >> babel -L descriptors > abonds Number of aromatic bonds > atoms Number of atoms > bonds Number of bonds > cansmi Canonical SMILES > cansmiNS Canonical SMILES without isotopes or stereo > dbonds Number of double bonds > formula Chemical formula > HBA1 Number of Hydrogen Bond Acceptors 1 (JoelLib) > HBA2 Number of Hydrogen Bond Acceptors 2 (JoelLib) > HBD Number of Hydrogen Bond Donors (JoelLib) > InChI IUPAC InChI identifier > InChIKey InChIKey > L5 Lipinski Rule of Five > logP octanol/water partition coefficient > MP Melting point > MR molar refractivity > MW Molecular Weight filter > nF Number of Fluorine Atoms > s SMARTS filter > sbonds Number of single bonds > smarts SMARTS filter > tbonds Number of triple bonds > title For comparing a molecule's title > TPSA topological polar surface area > > For debugging purposes I have tried to compile the ruby bindings against > a system installation (openbabel-2.3.2 on Arch Linux) and to compile > from scratch with the default /usr/local destination on a clean system. > I have also tried to change environment variables settings according to > the installation instructions and to require openbabel.so directly from > different locations (including the default > /usr/lib/ruby/site_ruby/2.0.0/x86_64-linux/), but none of these > combinations removed the symptoms described above. > > Previous versions OpenBabel versions worked (not sure about 2.3.1, but I > am quite confident with 2.3.0) without problems within the openbabel > gem. > > I guess that some paths got messed up during compiling or linking, but > have no clues how to fix it with my limited cmake and c++ knowledge. Any > help is greatly appreciated! > > Best, > Christoph Helma > > PS: My ultimate goal is to install the ruby bindings (openbabel.so) > independently of possibly existing OpenBabel installations in a (local > or system wide) gem directory (e.g. > ~/.gem/ruby/2.0.0/gems/openbabel-2.3.2.0/lib/openbabel/). This excludes > the possibility to modify environment variables and it would be > beneficial to avoid installing anything that is not needed for the ruby > bindings. Can you recommend cmake options/instalation procedures for > this purpose (e.g. using rpath or creating a single static library)? > > > ------------------------------------------------------------------------------ > This SF.net email is sponsored by Windows: > > Build for Windows Store. > > http://p.sf.net/sfu/windows-dev2dev > _______________________________________________ > OpenBabel-discuss mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss ------------------------------------------------------------------------------ This SF.net email is sponsored by Windows: Build for Windows Store. http://p.sf.net/sfu/windows-dev2dev _______________________________________________ OpenBabel-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
