Aug 8 2008
Contents
 
Introduction
Overview - RECOMMENDED READING FOR NEW ICM USERS
File Menu
Graphics Move Tools
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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
 Chemical Draw
 Edit Chemical
Tutorial - Chemical Searching
Tutorial - Docking and Virtual Ligand Screening
 
Index
PrevICM User's Guide
37.2 Edit Chemical
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Objective

To edit the Celebrex compound (drawn in the previous example) into a newer C0X-2 drug called Rofecoxib which maintains the Celebrex backbone but with many changes in functionality.

  • To edit the Celebrex compound - right click on the sketch of Celebrex in the Molecular Table and select Edit molecule.
  • You can submit the changes to the table by clicking on the red cross (close window button) in the molecular editor.
  • Alternatively you can append the Rofecoxib molecule to a saved sdf file or save as a separate mol file by using the File Menu in the ICM Molecular Editor.
  • If you would like to try the chemical search example below append the file to celebrex50.sdf in the distribution

Manual References (Web Links)

Molecular Editor


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