CBDD / openduck

Open-source DUck (Dynamic Undocking)
http://www.ub.edu/bl/undocking/
Apache License 2.0
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Add sdwriter.close() to fix_ligand() function #10

Closed simonbray closed 1 year ago

simonbray commented 1 year ago

I discovered that if this line is missing, the coordinates get written to the SDF, but none of the properties 😅