ICEDIT

ICEDIT is the user-friendly chemical structure and reaction editing tool developed at InfoChem following customer-specific requirements.
Get ICEDIT to draw chemical structures and reactions in a very intuitive way, using the symbols typically applied for sketches on paper.

Desktop Application

As a drawing application for Windows ICEDIT enables users to store and import MOL and RXN files (MDL®), as well as ISIS/Sketches. In addition a broad collection of templates together with an enormous list of superatoms and abbreviations help the user to perform fast and easy input of complex structures and reactions.
The new version 2.3 of ICEDIT launched in Spring 2012 offers show hydrogen - display options, such as off, on hetero, on hetero or terminal, on all. In addition, the functionalities for editing text have been enhanced and SMILES are supported.
Since version 2.1 InfoChem has introduced a license file for ICEDIT that makes the automatic mapping functionality and the standardization available. The new buttons ICMAP and ICSTD are activated only when a valid license file is given.
Click here for the detailed version history.

Java Applet

As Java applet ICEDIT is downloaded on the fly. No installation on the user's computer is required.
Features such as:

• easy integration in any desktop or web application
• advanced options for the definition of query features
• support of complex R-group query specification

make the ICEDIT Java applet an ideal tool to create queries for searching structure and reaction databases.
The ICEDIT desktop application provides the highly sophisticated query features and R-group specifications of the Java applet too.

Click here to see how easy it is to draw chemical structures!

Trouble initiating applet!!
Enable Java and JavaScript please.

With Version 2.0, InfoChem has also produced an enhanced version of the Java applet that supports the recognition, handling and definition of superatoms and abbreviations.

System Requirements

Application:

• Supported Platforms: Windows7, Windows Vista, Windows XP, Windows 2000

Java Applet:

• Supported Browsers: Internet Explorer 5.5 or higher, Firefox (Windows, Mac OS X), Opera, Google Chrome, Safari (Mac OS X)
• Software: Java Runtime Environment JRE 1.1.x or higher



• JavaScript must be enabled

Further Information

•   ICEDIT user manual (pdf-file, 0,4 MB)
•   ICEDIT technical documentation (pdf-file, 0,4 MB)
•   Using ICEDIT in Reaxys


• Request more information


• Quote request

Version history

New in Version 2.3

• SMILES SUPPORT:
  Import and export of molecules in SMILES format is available. In addition SMILE strings can be calculated and exported in, for example, word documents.



• SHOW HYDROGEN - DISPLAY OPTION:
  With this option users may choose if and which hydrogens in the molecule should be displayed. Off, on hetero, on hetero or terminal, on all are the different possibilities.



• EDIT TEXT FUNCTIONALITY:
  The editing functionalities for font, style, size, symbols, sub- and superscript have been enhanced.

New in Version 2.2

• Win 7 SUPPORT:
  Windows7, 64 bit is now supported.



• CALCULATION OF InChIs AND InChIKeys

New in Version 2.1

• AUTOMATIC REACTION MAPPING:
  With the "automap the reaction" button a drawn reaction gets automatically mapping numbers and reaction center information.



• STANDARDIZE THE STRUCTURE:
  The "standardize" button, standardizes the selected molecule or reaction in accord to InfoChem's standardization rules.

New in Version 2.0

• ENHANCED DISPLAY FEATURES:
  The layout functionalities supported by ICEDIT enable users to easily create structures and reactions in publication-quality and to integrate them seamlessly via OLE objects in Microsoft Office documents (Word, Excel) and presentations (PowerPoint).



• CHEMICAL SUPPORT OF BRACKETS:
  Full chemical support of multiple group and SRU brackets.

New in Version 1.8

• ABBREVIATION LIST:
  Abbreviations are parts of a structure (molecule or reaction component) that have been reduced to a text label, maintaining their chemical significance.
  With over 250 structures and 600 different names, InfoChem's abbreviations list is the largest on the market. ICEDIT users are now able to introduce "TMS" in their structure instead of drawing the whole trimethylsilyl protection group.



• CALCULATION OF MOLECULE VALUES:
  Molecule values of selected objects can be now calculated. We support the following: formula, molecular weight, nominal mass, exact mass and elemental analysis (see the manual for further details).

Last modification: October 31, 2012.