clearing atom maps

How can I clear atom maps?





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Quote:

I have a molfile with the atom-atom mapping column populated with non-zero values. When I run molconvert on it, the SMILES contains the values so it looks something like: [O:30]=[C:26]([O:24]......

You can do this by calling MolAtom.setAtomMap(0).





Example:

Code:

java ClearMaps test.sdf CCCC1CCCC(C1)C(C)NC C1COC2CC3OCCCC3CC2C1