SDF to SMI: Difference between revisions

Latest revision as of 18:27, 21 September 2026

go on cluster7 and run the following

ml anaconda3
conda create -n obabel conda-forge::openbabel -y
conda activate obabel

This should make you your own conda env with openbabel installed. Then, for conversion..

obabel <input_path>.sdf -O <output_path>.smi

Revision as of 18:26, 21 September 2026 (view source) Sstrizhov (talk \| contribs) (new page)		Latest revision as of 18:27, 21 September 2026 (view source) Sstrizhov (talk \| contribs) No edit summary
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	~~###~~ Openbabel Method (Cluster 7)		=== Openbabel Method (Cluster 7) ===

	go on cluster7 and run the following		go on cluster7 and run the following