Save mol instead of mol2

alex-l-m / cod2mol

Download organometallic crystal structures from the Crystallography Open Database by doi, and extract molecules from the crystal as mol files. Also downloads from the Cambridge Structural Database if their proprietary Python API is available

BSD 3-Clause "New" or "Revised" License

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Save mol instead of mol2 #5

Closed alex-l-m closed 2 years ago

alex-l-m commented 2 years ago

mol2 may cause issues with OpenBabel and mol contains the same information. Therefore, save entries as mol files, rather than mol2 files.

alex-l-m commented 2 years ago

Resolved in ef145de2e00de47e841586ffd3b27ef7ba35c0e2