Date Posted:
Product: Chem3D
Product: Chem3D
Problem:
Unable to use AutoDock within ChemBio3D 13
Solution:
The license must be for ChemOffice Professional, ChemBioDraw Ultra users need to upgrade
Make sure that Python 2.5 is installed on your PC, go to Control Panel >> Programs and Features and look for Python version 2.5, since the version included in ChemBioOffice 2012 is 3.2.The MGLTools 1.5.4 of AutoDock require Phyton 2.5 to work.
Download Phyton 2.5.4 directly from here:
http://www.python.org/ftp/python/2.5.4/python-2.5.4.msi
If you are experiencing problems with the AutoDock paths please follow these instructions:
To install AutoDock:
- In ChemBio3D 13.0, go to Calculations>AutoDock Interface>Install AutoDock/AutoDock Tools.
- In the AutoDock dialog box, click Download AutoDock. The AutoDock Web site opens in a Web browser, displaying the download instructions.
- Download and install AutoDock 4 to your local hard drive.
Note: Ensure that you download AutoDock 4 and not AutoDock Vina. - In the AutoDock dialog box, click Set AutoDock Path to select the path to where you installed AutoDock.
Installing AutoDock Tools
Like AutoDock, the AutoDock tools are free to install. You need to install the tools only once.
To install the AutoDock tools:
- In ChemBio3D 13.0, go to Calculations>AutoDock Interface>Install AutoDock/AutoDock Tools.
- In the AutoDock dialog box, click Download AutoDock Tools. The AutoDock Web site opens in a Web browser, displaying the download instructions.
- Download and install AutoDock Tools to your local hard drive.
- AutoDock = C:\Program Files (x86)\The Scripps Research Institute\AutoDock\4.2.5.1\
- AutoDock Tools = C:\Program Files (x86)\MGLTools 1.5.4
Note:
Please be aware that depending on the your version of ChemBio3D, the application may refer you to a more recent version of AutoDock and AutoDock Tools.
Here are the download pages for the compatible versions:
Version supported for AutoDock - 4.2.3
http://autodock.scripps.edu/downloads/previous-releases/autodock-4-2.3-1
Version supported for MGL Tools - 1.5.4
http://mgltools.scripps.edu/downloads/previous-releases/mgltools-1-5.4/mgltools-1-5.4
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