Hi,
I downloaded Smina and compiled it with out any error. Upon running, however, it seems it cannot save the output structure file. All I get is an empty file (extension pdbqt or pdb doesn't seem to matter) and a message like this: smina: symbol lookup error: smina: undefined symbol: _ZN9OpenBabel12OBConversion11SetInFormatEPKcb
Before the compilation succeeded I had to edit the Makefile in smina-code/build/linux/release/:
Do you perhaps have multiple versions of libopenbabel.so on your system? Your LD_LIBRARY_PATH needs to point to the same version you built with (/home/zidar/utils/openbabel-2.4.0-gcc/lib)
If you would like to refer to this comment somewhere else in this project, copy and paste the following link:
Hi,
I downloaded Smina and compiled it with out any error. Upon running, however, it seems it cannot save the output structure file. All I get is an empty file (extension pdbqt or pdb doesn't seem to matter) and a message like this:
smina: symbol lookup error: smina: undefined symbol: _ZN9OpenBabel12OBConversion11SetInFormatEPKcbBefore the compilation succeeded I had to edit the Makefile in smina-code/build/linux/release/:
I also had to edit the ../../makefile_common:
LIBS = -L/home/zidar/utils/openbabel-2.4.0-gcc/lib -l openbabelAny tips what could be wrong?
Thanks in advance!
zidarko
Do you perhaps have multiple versions of libopenbabel.so on your system? Your LD_LIBRARY_PATH needs to point to the same version you built with (/home/zidar/utils/openbabel-2.4.0-gcc/lib)
That was it, yes. I have several version of OpenBabel installed and I had to edti the LD_LIBRARY_PATH variable so it pointed to the right version.
Thanks!