chemical structure drawing tool for academic and home use
* Built-in structure–to–name and name–to–structure converters for IUPAC, SMILES and InChI
* Improved presentation–quality graphics
* Extensive range of no–charge extensions (add-ins)
* All–purpose drawing tool for rapidly drawing molecules
* Favorite templates for common structures
* Continued use of legacy files and sketches
* Simpler, faster drawing through user interface improvements
Symyx Draw Structure Resolver(build 52) (ZIP: 1.21 MB) and PDF Doc (ZIP: 44 KB)
Note: Symyx Draw Structure Resolver requires Symyx Draw 3.2 or later, and Microsoft .NET Framework 3.5.
This package contains:
A Symyx Draw add-in that examines the contents of the clipboard for chemical significance. If a piece of text has chemical significance, a pop up window with the resolved structure will open.
The add-in can recognize IUPAC names, Trivial names, Proprietary names, SMILES strings, InChI names, InChI keys, NEMA key, CAS Numbers, MDL Numbers and ChemSpider IDs.
The resolution is handled by using Symyx Draw, Discoverygate Web Services and ChemSpider.
Convert 2D to 3D (ZIP: 17 KB) and Sample source code (ZIP: 44 KB)
This package includes two add-ins:
Minimize and render a 2D structure - This add-in takes the entire drawing canvas—or a selection—and submits it to Balloon, a no-fee third-party structure minimizer. You can then use Jmol or RasMol to visualize the minimized structure.
3D Visualizer - Send an existing minimized structure directly to Jmol or RasMol from within Symyx Draw 3.1.
Balloon, Jmol and RasMol are available free of charge from their respective web sites.
Reaction Stoichiometry Calculator (ZIP: 71 KB) - This add in takes a reaction from Symyx Draw and displays it in a stoichiometry table. The reaction is analyzed: items on the left of the arrow are assigned reactant roles and those on the right are assigned the role of product. If items are detected above and below the arrow, they are looked up in an included dictionary and if found they are assigned the role of reagent, catalyst, or solvent. The dictionary can be customized and extra entries added.
Two output options are provided. The table can be inserted into the Symyx Draw page, and the entire page printed. Or it can be saved as an RTF file and printed via WordPad or Microsoft Word. The RTF document is also editable.
Calculate-as-you-draw (ZIP: 211 KB) - This add-in uses Symyx Cheshire scripts to calculate numerous structural properties on-the-fly.
Bioavailability (Rule of 5) (ZIP: 1 MB) - This add-in calculates a series of properties for the whole canvas or a selection using Symyx Cheshire and plots them.
Isotopomer Distribution (ZIP: 937 KB) - This add-in predicts the molecular ion peaks for the whole canvas or a selection using Symyx Cheshire and plots them.
Enumerate Stereoisomers (ZIP: 10 KB) - This add-in enumerates all the potential stereogenic centers in a structure and produces the set of possible absolute stereoisomers.
Enumerate Markush Structure (ZIP: 104 KB) - This add-in takes a Markush structure and enumerates it to all of the discrete structures that it contains. Variability can be defined either in terms of Rgroups using the Rgroup tool included with Symyx Draw 3.1, or using generic Sgroups with attached data representing the repeat range.