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MDL® Draw 3.0 Add-ins

MDL Draw's 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.

Download the add-in only or the add-in plus source code

There are two zip files available for most add-ins: (1) add-in only files and (2) add-in files plus source code. Take a look at the code and see how easy it is to develop custom add-ins! Note: The add-ins on this page are for MDL Draw 3.0 only.

The sample software code accompanying this readme.txt file ("Sample Code") is Copyright © 2007, MDL Information Systems, Inc., all rights reserved. Permission is hereby granted to licensed MDL Draw version 3.0 users ("Licensed Users"), to download, copy, and use the Sample Code, as an add-on to their licensed copy of MDL Draw only. In addition, Licensed Users may modify the Sample Code and redistribute it, provided the modified Sample Code is usable only with MDL Draw, and this 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 MDL, its licensors, affiliated companies, agents or contractors.

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InChI (ZIP: 417 KB) and InChI add-ins (plus source code) (ZIP: 994 KB)
This package includes three add-ins:

Display InChI String - This add-in takes the entire drawing canvas—or a selection—and generates and displays the InChI string.
InChI-to-Structure - This add-in takes an InChI string and returns a structure using hover and drop. NOTE: "InChI=" is part of the InChI format and should not be removed.
InChi Options - The add-in includes a GUI element called the InChI Console, which shows more data from the InChI string and can be toggled off in the InChI options menu.

		Calculate-as-you-draw (ZIP: 47 KB) - This add-in uses MDL Cheshire scripts to calculate numerous structural properties on-the-fly. (Requires MDL Cheshire 3.0 or 4.0 client and Microsoft .NET Framework 1.1.) Calculate-as-you-draw add-in (plus source code) (ZIP: 367 KB)
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		Bioavailability (Rule of 5) (ZIP: 50 KB) - This add-in calculates a series of properties for the whole canvas or a selection using MDL Cheshire and plots them using a third-party .NET graphing control. (Requires MDL Cheshire 3.0 or 4.0 client, Microsoft .NET Framework 1.1, and dotnetCharting.Winforms.dll.) Bioavailability add-in (plus source code) (ZIP: 156 KB)
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		Isotopomer Distribution (ZIP: 49 KB) - This add-in predicts the molecular ion peaks for the whole canvas or a selection using MDL Cheshire and plots them using a third-party .NET graphing control. (Requires MDL Cheshire 3.0 or 4.0 client, Microsoft .NET Framework 1.1, and dotnetCharting.Winforms.dll.) Isotopomer Distribution add-in (plus source code) (ZIP: 111 KB)
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		MDL Draw Add-ins for ACD/Labs - These add-ins enable scientists to calculate molecular properties and assess spectroscopic parameters within MDL Draw. These add-ins are available upon request from the ACD/Labs website at www.acdlabs.com/mdldraw.
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