#0 0x0000000000000064 in ?? () #1 0x00007ffff73edd44 in OpenBabel::OBForceField::NumericalDerivative (this=0x7fffe8009f00 , atom=0x55555580bba0, terms=1) at /home/julien/projects/openbabel/src/forcefield.cpp:3086 #2 0x00007ffff73ecc21 in OpenBabel::OBForceField::ConjugateGradientsInitialize (this=0x7fffe8009f00 , steps=100, econv=0.0001, method=2) at /home/julien/projects/openbabel/src/forcefield.cpp:2907 #3 0x00007ffff73edc74 in OpenBabel::OBForceField::ConjugateGradients (this=0x7fffe8009f00 , steps=100, econv=0.0001, method=2) at /home/julien/projects/openbabel/src/forcefield.cpp:3066 #4 0x00007fffe99f217d in OpenBabel::OpGen3D::Do (this=0x7fffe9c78ae0 , pOb=0x5555557a1370, OptionText=0x5555557fb200 "", pOptions=0x7fffffffe588, pConv=0x7fffffffe420) at /home/julien/projects/openbabel/src/ops/gen3d.cpp:150 #5 0x00007ffff756ab8a in OpenBabel::OBOp::DoOps (pOb=0x5555557a1370, pOptions=0x7fffffffe588, pConv=0x7fffffffe420) at /home/julien/projects/openbabel/include/openbabel/op.h:89 #6 0x00007ffff75686c6 in OpenBabel::OBMol::DoTransformations (this=0x5555557a1370, pOptions=0x7fffffffe588, pConv=0x7fffffffe420) at /home/julien/projects/openbabel/src/transform.cpp:56 #7 0x00007ffff7575d3a in OpenBabel::OBMoleculeFormat::ReadChemObjectImpl (pConv=0x7fffffffe420, pFormat=0x7fffe23f9fe0 ) at /home/julien/projects/openbabel/src/obmolecformat.cpp:106 #8 0x00007ffff5c11ea3 in OpenBabel::OBMoleculeFormat::ReadChemObject (this=0x7fffe23f9fe0 , pConv=0x7fffffffe420) at /home/julien/projects/openbabel/include/openbabel/obmolecformat.h:118 #9 0x00007ffff74cef77 in OpenBabel::OBConversion::Convert (this=0x7fffffffe420) at /home/julien/projects/openbabel/src/obconversion.cpp:545 #10 0x00007ffff74cec1f in OpenBabel::OBConversion::Convert (this=0x7fffffffe420, is=0x7fffffffd9b0, os=0x7fffffffd7b0) at /home/julien/projects/openbabel/src/obconversion.cpp:481 #11 0x00007ffff74d2c39 in OpenBabel::OBConversion::FullConvert (this=0x7fffffffe420, FileList=std::__debug::vector of length 1, capacity 1 = {...}, OutputFileName="alpha-d-glucopyranose_modified_H13-2H.inchi.mol", OutputFileList=std::__debug::vector of length 1, capacity 1 = {...}) at /home/julien/projects/openbabel/src/obconversion.cpp:1486 #12 0x000055555555f9de in main (argc=6, argv=0x7fffffffe858) at /home/julien/projects/openbabel/tools/obabel.cpp:364