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Contents
 
Introduction
How To Guide
Getting Started
Molecular Graphics
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ActiveICM
Movie Making
Sequences & Alignments
Protein Structure Analysis
Protein Superposition
Crystallographic Analysis
Homology & Modeling
3D Predict
Molecular Mechanics
Cheminformatics
Chemsitry Menu
 Calculate Properties
 Standardize Table
 Annotate
 Build Prediction Model
 Predict
 Convert Smiles to 2D
 Convert Structure to Smiles
 2D Depiction
 Convert to 3D
 Generate 3D Conformers
 Generate Tautomers
 Convert to Racemic
 Generate Stereoisomers
 Align/Color by 2D Scaffold
 Cluster Set
 Compare Two Sets
 Merge Two Sets
 Sort Table
 Select Duplicates
 Markush
 Enumerate by Scaffold
 R-Group Decomposition
 Enumerate by Reaction
 Superposition
Docking
Ligand Editor
Tables
Local Databases
FAQs
Tutorials
 
Index
PrevICM User's Guide
16.7 Convert Structure to Smiles		Next

To convert an sdf file of 2D or 3D chemical coordinate in Smiles:

  • Read a chemical table (sdf file) into ICM.
  • Select Chemistry/Convert Structure to Smiles.
  • Select the table you want to convert using the drop down arrow and the name of the column containing the 2D sketch.
  • Select whether you wish to keep the 2D sketch column in the new table.
  • Click OK and a table will be displayed containing the smiles string.

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Convert Smiles to 2D		Home
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2D Depiction

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