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 following code: bool file_read = OBconv->ReadFile(OBmol, molfile); GDB points me to a problem in src/formats/mol2format.cpp. Something around if (boundToNitrogen->IsHydrogen()) However, I could not figure out yet what is going wrong. An example of a molecule that could not be read is http://zinc.docking.org/substance/67583168 (also attached). Any clues? Thanks in advance [ ]s --alessandro
mcr_decoy.0.151.mol2
Description: Binary data
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