Extracting Ligand from OEDesignUnit
A program that extracts the ligand from an OEDesignUnit. An example command would be:
prompt> python extract_ligand_oedu.py input.oedb output.sdf
Code
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See also
HasLigandpredicate
A program that extracts the ligand from an OEDesignUnit. An example command would be:
prompt> python extract_ligand_oedu.py input.oedb output.sdf
Download code
See also
HasLigand predicate