Comments (3)
I can't reproduce this using the conda version (2019.03.2) on Linux, and I'd rather not introduce a new dependency unless really needed.
Can you send more details such as version number, OS? Are all molecules giving you trouble?
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Ahh yes I can see now that I debug a bit further down, that it is something internally on my environment. If I just import rdkit I have no problems, but when I also import some of my own scripts first I get the segmentation fault. So for sure not related to xyz2mol, and a specific bug for rdkit and my setup. I will investigate and post at rdkit development...
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OK, great. Closing this issue
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Related Issues (20)
- Purpose of 1.3 multiplier in checking covalent bonds HOT 2
- Stranger case when convert xyz file to mol HOT 5
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