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
