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Frequently Asked Questions (& Answers!)

Installing AutoDock

How do I install AutoDock on Linux and Mac OS X?

I've downloaded the tar.gz file containing the AutoDock and AutoGrid executables. How do I install them?

You should have downloaded a file with a name such as "autodocksuite-4.2.1-i86Linux2.tar.gz" for Linux, and "autodocksuite-4.2.1-i86Darwin8" or "autodocksuite-4.2.1-ppcDarwin8" for Mac OS X.

At the command line, change directory to the directory where you downloaded the file, <download-directory> (Note: you should substitute <download-directory> with the full path to where the downloaded file is):
cd <download-directory>

Now let's extract the contents from the GNU-zipped tar file; in this example, we assume you have downloaded the Linux binaries:

tar xvzf autodocksuite-4.2.1-i86Linux2.tar.gz
This will create a new directory called "i86Linux2". In it, you will find two executables, called "autodock4" and "autogrid4". Let's change directory there first:
cd i86Linux2
Now move the executables to the directory where you normally keep your binaries. On Linux and Mac OS X, this is often /usr/local/bin. The main thing is that this directory is in your path.

Note: you have to have administrative privileges to do it (either switching user to root or by using sudo).

As root:
mv autogrid4 /usr/local/bin
mv autodock4 /usr/local/bin
As regular user (you have to type your user password):
sudo mv autogrid4 /usr/local/bin
sudo mv autodock4 /usr/local/bin
Now every time you open a new shell or Terminal, you should now be able to run AutoGrid 4 and AutoDock 4.

This FAQ applies to: AutoDock 4

Problem with on Linux

What to do if you are getting " cannot open shared object file: No such file or directory" error message.

You'll need either to build autodock from source or install the missing library. Since comes preinstalled with the latest Linux systems, in this case, it would be better to build autodock from source.

See also:

by morris last modified 2007-07-19 17:31
Contributors: Ruth Huey, Garrett M. Morris, Sargid Dallakyan, Stefano Forli

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