Comments (2)
The kekulize issues sound like you're using an old version of RDKIT. Maybe try to updating that.
For issues with "BeautifulSoup constructor," it's also likely that you're using an inappropriate version. Maybe try installing it with pip
for instance.
If these don't help, you can always try using either the dev
branch (requires Python 3) or the refactor
branch.
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Given your other comment I understand you've been able to run the code, so I'll close this issue.
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Related Issues (20)
- package rdkit and smile format HOT 8
- No module named 'sanifix4' HOT 7
- Bead division problem HOT 7
- Mismatch between dev branch and refactor branch result HOT 5
- how validate auto_martini itp HOT 1
- Vcclabs website down - is it OK to use rdkit.Chem.Crippen module for ALOGP calculation? HOT 2
- No output file HOT 8
- "Missing parentheses in call to 'print'." HOT 15
- Max. number of attempts: 54517 HOT 1
- VisibleDeprecationWarning
- Improving molecule sanitization HOT 1
- auto_martini as an interoperable component HOT 2
- auto_martini fails 4 tests
- auto_martini doesn't work for silica coarse graining HOT 1
- setup.py
- The CG model for ethanol is different from the original paper HOT 1
- martini3 HOT 3
- ALOGPS can't predict fragment HOT 2
- Installation instructions are incomplete HOT 5
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