> How to 'disable' obabel from generating 3 molecules for tryphtophan while > running the following? > obabel trp.sdf -O trp.1.sdf
Your file has more than one molecule. If you want the 2nd, then you'd use the "first" and "last" filters: obabel trp.sdf -O trp.1.sdf -f 2 -l 2 Hope that helps, -Geoff
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