fredrikw

Are you in a position to debug the build? In that case I would like to see what's happening around https://github.com/openbabel/openbabel/blob/f3ed2a9a5166dbd3b9ce386e636a176074a6c34c/src/mcdlutil.cpp#L2575 In particular, the content of dsATN and the values...

It doesn't seem to be a build problem as much as a run time problem so the build logs wouldn't help I'm afraid (I see that my wording was unclear...

I'm no expert in gdb either, but you need to set a breakpoint on the relevant line before typing `run`. I think it's something like `break mcdlutil.cpp:2575` And then you...

How did you install OpenBabel? This kind of problems often happen when there is a problem with BABEL_DATADIR. See e.g. #2356 and #2522.

The problem is that the tag openbabel-3-1-1 is missing the commit where the version number was updated. Everything else is the same so it is effectively 3.1.1 but it reports...

Hi, How did you install OpenBabel? It looks like a problem with the library paths so one possible solution could be to add /usr/local/lib/ to LD_LIBRARY_PATH, see https://open-babel.readthedocs.io/en/latest/Installation/install.html#troubleshooting-build-problems ``` LD_LIBRARY_PATH...

To start with, the actual error message says `-- Warning: Python bindings NOT found. Generate using -DRUN_SWIG.` regarding the Python bindings, so you need to rerun cmake with `-DRUN_SWIG`. BUT,...

I'm by no means an expert on biomolecule data formats, but as far as I can tell, openbabel is retaining the asym_id as chain information but it doesn't split the...

Hello, Could you please attach an example file with this problem for testing? And also, please shorten the title of the issue and move the text to the description. It...

In addition, the original SMILES looks a bit strange with both the nitrogen and sulphur on the lower right of your image being without hydrogens. And do you need the...