Oct 21 2010 Feedback.
Contents
 
Introduction
How To Guide
Getting Started
Molecular Graphics
Slides and Documents
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
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 Markush
 Enumerate by Scaffold
 R-Group Decomposition
 Enumerate by Reaction
 Superposition
Docking
Ligand Editor
Tables
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FAQs
Tutorials
 
Index
PrevICM User's Guide
16.6 Convert Smiles to 2D
Next

To convert smiles strings to 2D sketches

  • Read in a table containing the smiles strings in separate rows. For example the smiles strings maybe in an Excel file and you can load this into ICM by saving the Excel file as comma-separated (csv).
  • Select Chemistry/Convert Smiles to 2D.
  • Select the table you want to convert using the drop down arrow and the name of the column containing the smiles string.
  • Select whether you wish to keep the smiles column in the new table.
  • Click OK and a table will be displayed containing the 2D structure.


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