Comments (1)
Thanks for the cif and great writeup! I'm having trouble reproducing the ERROR topology and successfully getting dia
for both.
My best guess is that it's something to do with the systre/java dependency. For more diagnostics, could you try running the rerun_systre.py tool, something like:
python Python/run_mofid.py ~/Downloads/example.cif
python Python/rerun_systre.py
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Related Issues (20)
- moffles --> mofid HOT 1
- Document the round-tripping errors
- Inconsistent aromaticity of N-heterocycles
- Write more formats HOT 1
- Update Open Babel
- Clean up stderr HOT 2
- pip install can be slow HOT 1
- Rename NoSBU algorithm
- Remove set_paths.py requirement
- Rare AssertionError in Python interface HOT 3
- Add a verbosity flag to Python interface
- 'Unknown' and 'NA' topologies on CoRE MOF dataset HOT 1
- Complete MOFid with extraneous error flag HOT 2
- Issue running `pip install .` for mofid in Google Colab HOT 3
- Clarification on Handling Allnode Topology in Web vs. Local Run in mofid HOT 4
- Update Open Babel dependency & Continuous Integration
- `extract_topology`: Specify nets that are Non-crystallgraphic
- Unable to build with GCC 14
- Unable to build with gcc11.3
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