Jul 3 2008
Contents
 
Introduction
Overview - RECOMMENDED READING FOR NEW ICM USERS
File Menu
Graphics Move Tools
Display Tab
Light Tab
Labels Tab
PDB Search Tab
Meshes Tab
View Menu
Selections
Tables
Local DB
Sequences
Bioinfo Menu
Tools Menu - Xray
Tools Menu - 3D Predict
Tools Menu - Analysis
Tools Menu - Superimpose
Homology and Modelling
Working with Chemistry Tools
Chemsitry Menu
 Calculate Properties
 Standardize Table
 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
 Enumerate by Markush
 R-Group Decomposition
 Enumerate by Reaction
 Superposition
 Chemical Search
 Pharmacophore Search
 Find & Replace
 Fragments
 Molcart
Docking
Ligand Editor
Animations, Slides, & Documents
ActiveICM
Movie Making
Frequently Asked Questions
Tutorial - Graphical Display
Molecular Document
Tutorial - Working with PDB Protein Structures
Tutorial - Working with Sequence Alignments
Tutorial - Ligand Binding Pocket Analysis
Tutorial - Homology and Modeling Tools
Tutorial - Crystallographic Analysis Tools
Tutorial - Working with Chemical Tables
Tutorial - Working with the Molecular Editor
Tutorial - Chemical Searching
Tutorial - Docking and Virtual Ligand Screening
 
Index
PrevICM User's Guide
22.6 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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