The Molecular Graphics Laboratory Forum

AutoDock, AutoLigand, MGLTools, Vina, PyRx and more.
It is currently Sun Apr 22, 2018 6:36 am

All times are UTC




Post new topic Reply to topic  [ 3 posts ] 
Author Message
 Post subject: Autodock 4 error message
PostPosted: Fri Feb 17, 2012 12:12 am 
Offline
Millimolar User
Millimolar User
User avatar

Joined: Thu Feb 16, 2012 3:34 pm
Posts: 1
Hi,
I'm trying to learn how to use the autodock4 software by following the online tutorial (Jan 8, 2008 version). I went through excise 5 to 12. But didn't get any docking data. I attached the .dlg file. Could anyone help me to identify where the problem(s) is/are?

Here are details about my hardware setup and how I installed the autodock software.
My computer is an iMac with 3.06 GHz Intel Core 2 Duo, 4 GB memory. The machine runs on Mac OS X 10.6.8.

I downloaded the autodocksuite-4.2.3-universalDarwin10 and followed the online instruction for installation. The only change is that my computer somehow doesn't have /usr/local/bin directory, so I put the autodock4 and autogrid4 under the /usr/bin directory.

I downloaded and installed the MGLTools 1.5.4 for Mac. (I know this is not the latest version. I also tried the 1.5.6rc3 version, but was overwhelmed by the user interface.)

Thanks in advance for any help.

Vivian


Attachments:
autodock error message.py [1.16 KiB]
Downloaded 387 times
Top
 Profile  
 
PostPosted: Thu Mar 01, 2012 5:43 pm 
Offline
Millimolar User
Millimolar User
User avatar

Joined: Thu Feb 23, 2012 6:28 pm
Posts: 4
Vivian
This worked for me on a MAC, OS 10.4.11:
In a terminal, go to the directory where the parameter files are

exec /usr/local/bin/autogrid4 -p hsg1.gpf -l hsg.glg &

The above command without the 'exec' failed; I got the error message of 'can't find or open parameter file' and it would not even read the flags (complaining that it can't find file '-p'). I haven't figured out how to start the run successfully from the ADT GUI.

Kellie


Top
 Profile  
 
PostPosted: Fri Mar 02, 2012 1:58 am 
Offline
MGL member
MGL member
User avatar

Joined: Mon Oct 20, 2008 6:34 pm
Posts: 200
Hi,

be sure the docking calculation was successful. Try opening the DLG file with a text editor and inspect the last lines. If there was an error, you should be able to see it in there.


Stefano


Top
 Profile  
 
Display posts from previous:  Sort by  
Post new topic Reply to topic  [ 3 posts ] 

All times are UTC


Who is online

Users browsing this forum: Bing [Bot] and 2 guests


You cannot post new topics in this forum
You cannot reply to topics in this forum
You cannot edit your posts in this forum
You cannot delete your posts in this forum
You cannot post attachments in this forum

Search for:
Jump to:  
cron
POWERED_BY
Translated by MaĆ«l Soucaze © 2009 phpBB.fr