Another unexpected issue. When I enter with clean 3d coordinates (generated
by ChemAxon) wash them with OpenBabel and then use that seed conformation to
start a conformational search I never get output. Most of the time (and
this is with a batch of 25 molecules) I get through around 10% of the
mo
Just a quick santity check, but does either obabel --gen3d or obgen work?
In my hands both are giving seg faults starting from smiles. What is weird
is that --gen2d is working fine.
I should specify that I am using OpenBabel 2.3.2 and starting from smiles
produced by OpenBabel and I had no is
Alright, I've been trying to compile the new version of OB without the
dynamically linked libraries (which I already can compile without issue).
Unfortunately I keep running into this issue when I am building the SWIG
wrappers:
[ 99%] Built target test_runner
Scanning dependencies of target bindi
