| |
|
| Symyx Draw |
 |
|
|
|
|
| |
| Symyx Draw Add-ins |
| |
|
Symyx Draw's (formerly MDL Draw) simple, programmable interface enables developers to create custom add-ins or actions and drop them in as tools, buttons, or menu items. Structure converters, calculators, and property predictors can be added and tailored to the needs of the individual or organization.
Note: Add-ins on this page are for both Symyx Draw 3.1 and 3.2 unless otherwise noted.
|
The sample software code accompanying this readme.txt file ("Sample Code") is Copyright © 2008, Symyx Technologies, Inc., all rights reserved. Permission is hereby granted to licensed Symyx Draw users ("Licensed Users"), to download, copy, and use the Sample Code, as an add-on to their licensed copy of Symyx Draw only. In addition, Licensed Users may modify the Sample Code and redistribute it, provided the modified Sample Code is usable only with Symyx Draw, and the readme.txt file accompanies the distribution. The Sample Code, and any and all modifications thereto, are provided at no fee and strictly as is, without warranty by, or liability to Symyx, its licensors, affiliated companies, agents or contractors.
|
|
|
|
|
|
All Symyx Draw Add-ins (ZIP: 3.43MB)
Download a zip file containing all the available add-ins, or download them individually below.
Note: Symyx Draw Structure Resolver requires Symyx Draw 3.2 or later, and Microsoft .NET Framework 3.5 |
|
|
|
|
Click to Enlarge |
|
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
|
|
|
|
|
|
Click to Enlarge |
|
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.
|
| Click
to Enlarge
| | | |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
 |
|
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.
|
| Click
to Enlarge
| | | |
|
|
|
|
|
|
|
|
|
;){kind=link}
;){kind=link}
;){kind=link}
;){kind=link}
;){kind=link}
;){kind=link}
;){kind=link}
;){kind=link}
;){kind=link}