Mar 8 2010
Contents
 
Introduction
How To?
Menu Options
Graphics Tools
Tabs
Selections
Tables
Local DB
Sequences
Homology and Modelling
Working with Chemistry Tools
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
Animations, Slides, & Documents
ActiveICM
Movie Making
Frequently Asked Questions
Tutorials
 
Index
PrevICM User's Guide
12.1 Calculate Properties		Next

To calculate chemical properties for compounds within a chemical table:

  • Read in the chemical table.
  • Select Chemistry/Calculate Properties and a window as shown below will be displayed.
  • Select the properties you wish to calculate using the 'tick' check boxes.
  • Click OK and the properties will be added as new columns in the chemical table.

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Chemsitry Menu		Home
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Standardize Table

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