Hello, I'am trying to set the force field, but it returns a NULL pointer. OBForceField* pFF = OBForceField::FindForceField("MMFF94");
I have come across the same problem posted and all the solutions of it didn't help. In my programm I'm already using OBConversion object and I have tried to set environment variables manually like this with my directories LD_LIBRARY_PATH=/home/me/OpenBabel/build_trunk/lib/ BABEL_LIBDIR=/home/me/OpenBabel/build_trunk/lib/ BABEL_DATADIR=/home/me/OpenBabel/openbabel-git/data/ Also I don't quite understand the whole process of installing, can there be a problem? I've done everything as it was advised here https://open-babel.readthedocs.org/en/latest/Installation/install.html#compiling-open-babel Now I have 2 folders in /sources/openbabel/: /sources/openbabel/build and /sources/openbabel/openbabel-2.3.2 In /sources/openbabel/build/include/openbabel there was only one file - babelconfig.h. I manually copied all other files from /sources/openbabel/openbabel-2.3.2/include/openbabel/, was it the right idea? The example code from here https://open-babel.readthedocs.org/en/latest/UseTheLibrary/CppExamples.html after that worked well (My makefile is pretty the same except paths). OBPlugin::List("forcefields"); also works, it lists the existing force fileds. What can be the reason of such behaviour? -- View this message in context: http://forums.openbabel.org/Invalid-pointer-Force-Field-previous-solutions-don-t-help-tp4656645.html Sent from the General discussion mailing list archive at Nabble.com. ------------------------------------------------------------------------------ October Webinars: Code for Performance Free Intel webinars can help you accelerate application performance. Explore tips for MPI, OpenMP, advanced profiling, and more. Get the most from the latest Intel processors and coprocessors. See abstracts and register > http://pubads.g.doubleclick.net/gampad/clk?id=60134791&iu=/4140/ostg.clktrk _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss