Hi guys, > $ /share/linux/openbabel-2.3.2/bin/obabel -i pdb -o smi SB3_model.pdb > C(=O)([C@@H]1CCCCN1C(=O)C(=O)C(CC)(C)C)O[C@H](CCc1ccccc1)c1ccccc1 > SB3_model.pdb > 1 molecule converted
Should "\tSB3_model.pdb" be there? Is that part of SMILES specification? Thanks -- Dimitri Maziuk Programmer/sysadmin BioMagResBank, UW-Madison -- http://www.bmrb.wisc.edu
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