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Contents
 
Introduction
Help Videos
Reference Guide
Getting Started
Protein Structure
Molecular Graphics
Slides & ActiveICM
Sequences & Alignments
Protein Modeling
Cheminformatics
 Read
 Save
  Save Workspace
  Save Chemical Spreadsheet as SDF
  Export to Excel
  Save Molecular Editor
  Save 3D Chemicals
  Saving Chemical Images
  IUPAC Name
 Chemical Spreadsheets
 Editor
 Chemical Search
 2D Interaction
 Convert to 3D
 Fragments
 Find Bioisostere
 Molcart
 Calculate Properties
 Standardize Table
 Annotate
 Align/Color by 2D Scaffold
 Formal Charges
 Torsion Analysis
 Enumerate Formal Charge States
 Protonation vs pH
 Convert
 Build Prediction Model
 Predict
 Generate 3D Conformers
 Generate Tautomers
 Generate Stereoisomers
 Prodrug
 Ligand Energetics
 Cluster Set
 PCA Analysis
 Visualize Chemical Space
 Compare Two Sets
 Merge Two Sets
 Select Duplicates
 MPO
 Combinatorial Chemistry
 SAR Analysis
 Chemical Superposition
 APF Tools
Learn and Predict
Docking
Virtual Screening
Molecular Dynamics
MolScreen
3D Ligand Editor
Tables and Plots
Local Databases
ICM-Scarab
KNIME
Tutorials
FAQs
 
Index
PrevICM User's Guide
10.2 Save Chemical Structures and Images
Next

[ Save Workspace | Save Chemical Spreadsheet as SDF | Export to Excel | Save Molecular Editor | Save 3D Chemicals | Saving Chemical Images | IUPAC Name ]

Available in the following product(s): ICM-Chemist | ICM-Chemist-Pro | ICM-VLS

There are a variety of ways to save chemical structures. Chemicals can be saved in mol, sdf and smiles format from a chemical table (spreadsheet), molecular editor or from the ICM-Workspace. An image of the 2D sketch can be saved as an image from a chemical table.

10.2.1 Save Chemical Spreadsheet Workspace


If you wish to save your chemical spreadsheet and plots and setup.

  • File/Save As - ICM Binary Format (.icb)

10.2.2 Saving Chemical Spreadsheet as SDF


To save all the chemicals in a table as an SDF file:

  • Right click on the chemical table header.
  • Select Save as..
  • Select Save as type: (SD file, Mol file or comma separated value - csv)

To save selected chemicals in a table as an SDF file:

  • Select the row(s) of the chemicals you wish to save in SDF format. Row selections in tables is described in the Tables chapter.
  • Right click on any of the selected rows and select Save Selection As....

10.2.3 Export to Excel


To export to Excel:

  • Right click on the table header and select "Export to Excel".

10.2.4 Saving Chemicals in the Molecular Editor


Chemicals drawn in the ICM Molecular Editor can be saved:

  • File/Save or File/Save As... or Edit/Copy as SMILES

10.2.5 Saving Chemicals 3D Chemicals


If you have converted a chemical sketch into 3D, the 3D structure will be displayed in the ICM Workspace. To save this structure in mol format:

  • Right click on the name of the chemical in the ICM Workspace.
  • Select Save As..

10.2.6 Saving Chemical Images


To save an image of a chemical sketch:

  • The chemical needs to be displayed in a chemical table.
  • Right click on the 2D image
  • Select Save Molecule As Image

NOTE Using the right click options you can also save the image to the clipboard or copy the molecule to the ICM Image Album for use in Molecular Documents.

10.2.7 IUPAC Name


The IUPAC nomenclature for a compound can be generated on the fly for a chemical. You can view the IUPAC name in the Molecule Editor or you can insert a column into a chemical spreadsheet with the IUPAC name.


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