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Chemical structures can be read into ICM from MOL/MOL2, SMILES, and SDF files OR you can construct your own structures by drawing them in the ICM molecular editor.
16.1.1 Loading Chemical Structures |
Chemical structures from pre-existing molecular files such as MOL, MOL2 or SDF can be read into ICM by:
16.1.2 Chemical Smiles |
If you know the chemical smiles string for the compound you can build it by:
Smiles can be read from a text file into a chemical table by:
Smiles can be read directly into the ICM Molecular Editor:
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