[Open Babel] Problems in Conformer Generation

Hi Folks, I am working with a conformer generator program in C++ using openbabel API. Everything seems to work fine. However, with some molecules, I got a segmentation fault with little information. Using gdb, i figured out that it seems to be related to the reading of a MOL2 file, with the foll

[Open Babel] Still having problems with OBConformerSearch

Hi OB folks, I am still having some problems with the GA algorithm for conformer generation. My purpose is to generate a set of conformers 'on-the-fly' on a C++ program for binding energy evaluation. So, I opened the mol2 file, minimized it with steepest descent and used OBConformerSearch as desc

[Open Babel] Problems building OB 2.3.1 with static libs

Hi all, I am having some problems to compile OpenBabel on Ubuntu with static libs. The compiler is GNU (GCC/G++), Eigen3, Zlib, Cairo and XML2 libraries were installed. The error message appears during the linking step: Linking CXX executable ../bin/babel ../src/libopenbabel.a(plugin.o): In fu

[Open Babel] Doubts with ConformerSearch API

Hi OB folks, I am brand new to OpenBabel and I`m trying to learn how to use the conformerSearch in OB. However, I am finding some odd results and would like to hear from you about hints on how to generate multiple conformers using OB. Below there is a piece of my C++ code. The code compiles fine.

[Open Babel] Problems building OB 2.3.1 with static libs

Hi all, I am having some problems to compile OpenBabel on Ubuntu with static libs. The compiler is GNU (GCC/G++), Eigen3, Zlib, Cairo and XML2 libraries were installed. The error message appears during the linking step: Linking CXX executable ../bin/babel ../src/libopenbabel.a(plugin.o): In fu