[Open Babel] Problem when a fasta file was converted into PDB file

Dear Madam or Sir, When I used Openbabel to convert a fasta file into PDB format, I met a problem. My fasta file is like protein A It is a protein, but the retrieved PDB was DNA structure. How could I restrain the input parameters to output a protein structure? Thank you very much!! your

[Open Babel] Anyone using the parallel implementation of MMFF94 forcefield (via OpenMP)

Hi list, In the ChangeLog I found Tim wrote about the GCC compilation options to be used in order to enable MMFF94 parallelization. His entry reads as follows. 2008-04-28 Tim Vandermeersch tim.vandermeer...@gmail.com * src/forcefields/forcefieldmmff94.cpp: OpenMP version of MMFF94.

[Open Babel] OpenBabel compilation/use with OpenMP

Hi list, In a previous version of OpenBabel (OpenBabel-2.2) it was possible to instruct the build to make use of OpenMP to parallelize the forcefields routines in OpenBabel. The way it was done was using compiler flags read by the configure command inside babel source directory: $tar zxvf

Re: [Open Babel] Anyone using the parallel implementation of MMFF94 forcefield (via OpenMP)

This is from the time before OpenBabel moved to CMake. I look at the CMakeLists.txt and there is no OpenMP flags there (-fopenmp, -lgomp). Which is the preferred way to do it. Either edit you CMakeCache.txt (e.g., ccmake .) after setting up the cmake build directory, or declare these as