[Open Babel] Problems in Conformer Generation

2012-11-08 Thread Alessandro Nascimento
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

[Open Babel] Problems building OB 2.3.1 with static libs

2012-08-01 Thread Alessandro Nascimento
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

[Open Babel] Doubts with ConformerSearch API

2012-07-31 Thread Alessandro Nascimento
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

2012-07-30 Thread Alessandro Nascimento
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