Dear Ravi!

I hope you have followed the AutoDock installation instructions exactly.

Install 1. Python

2. MGL Tools 1.5.6

3. AutoDock 4.2.3

4. Cygwin (It's provides a Linux environment in Windows)

I can guess your problem. I'm also faced similar issues at the beginning times. You try the following steps to resolve this problem. I have agree with Mr. Meshram suggestions (4). AutoDock program couldn't find the path of AutoDock4.exe & Autogrid4.exe application files in your system. We can fix this issue easy

Kindly keep the following files in your working folder

1. AD4_parameters.dat

2. AD4.1_bound.dat

3. Autodock4.exe

4. Autogrid4.exe

Who to collect these files? (see the attachment)

One more thing Ravi, I'm recommending you to use Linux (Ubuntu or Linux mint) versions for this AutoDock works.

I hope this information may HELP you to run the AutoDock program in your system

You can see the similar discussion in ResearchGate

https://www.researchgate.net/post/Can_anybody_guide_me_on_how_to_run_AUTODOCK4_on_Windows

Thanks

If anything do not work.... try out using PyRX (python prescription). Iam using pyRX since last 2 years and it is definitely better than ADT. Use following steps to install it on Windows 7.

(1) first remove ADT from program files and autodock from windows/system folder. then proceed for installing PyRX. Note that you will still need Python installed. So remove everything else you have installed for running tools from the MGL Tools Website.

(2) Re-install AutoDock 4.2. When re-installing, install to "C:\Program Files (x86)

\AutoDock" not C:\Windows\system32 as suggested.

(3) Download and install PyRx. This installs to "C:\Program Files (x86)

\PyRx".

(4) Now start PyRx (there should be a shortcut on the desktop, else

run PyRx.bat) and under Edit/Preferences set the location of AutoDock

to "C:\Program Files (x86)\AutoDock\autodock.exe" (they can just browse to

the folder and file), and similarly for AutoGrid. If you did this properly,

the "Local" radiobutton in the bottom of the AutoDock Wizard tab should be

available. This 'local' option should be choose during the docking.

use following You-tube videos for quickstart

https://www.youtube.com/watch?v=7WdGWklXjfM and

https://www.youtube.com/watch?v=niw6gHDLfO4

Happy docking.... Let me know if you have anything regarding PyRX

cheers for AutoDock

Dear Ravi!

I hope you have followed the AutoDock installation instructions exactly.

Install 1. Python

2. MGL Tools 1.5.6

3. AutoDock 4.2.3

4. Cygwin (It's provides a Linux environment in Windows)

I can guess your problem. I'm also faced similar issues at the beginning times. You try the following steps to resolve this problem. I have agree with Mr. Meshram suggestions (4). AutoDock program couldn't find the path of AutoDock4.exe & Autogrid4.exe application files in your system. We can fix this issue easy

Kindly keep the following files in your working folder

1. AD4_parameters.dat

2. AD4.1_bound.dat

3. Autodock4.exe

4. Autogrid4.exe

Who to collect these files? (see the attachment)

One more thing Ravi, I'm recommending you to use Linux (Ubuntu or Linux mint) versions for this AutoDock works.

I hope this information may HELP you to run the AutoDock program in your system

You can see the similar discussion in ResearchGate

https://www.researchgate.net/post/Can_anybody_guide_me_on_how_to_run_AUTODOCK4_on_Windows

Thanks

Respected D.Mani Maran,

Thank you very much for your valuable information.

I have tried everything accourding to your instructions,

But, when i run AutoGrid, the program refuses to run,,

It gives a message "Unsuccessful Completion" in the command promt.

Please help me rectify this problem.

Thank you very much in advance.

You can switch to Linux and install it easily from the software center.

Dear Ravi,

You get your problem solved? or try running autogrid/autodock using command prompt. it will wok

According to me, you are doing a mistake in giving DOS commands. addressing the proper path of the file is very important

I installed AutoDockTools, with other add ons like CADD, PMV, etc, from the MGL Tools Website.But the error mensage is view.

C:\Users\Irwin Alencar>"C:\Program Files (x86)\Drug Design\MGLtools\python.exe"

"C:\Program Files (x86)\Drug Design\MGLtools\Lib\site-packages\AutoDockTools\bin

\runAdt.py"

Run ADT from C:\Program Files (x86)\Drug Design\MGLtools\lib\site-packages\Auto

DockTools

Traceback (most recent call last):

File "C:\Program Files (x86)\Drug Design\MGLtools\lib\site-packages\AutoDockTo

ols\__init__.py", line 420, in runADT

from mglutil.splashregister.splashscreen import SplashScreen

File "C:\Program Files (x86)\Drug Design\MGLtools\lib\site-packages\mglutil\sp

lashregister\splashscreen.py", line 7, in

from mglutil.util.misc import ensureFontCase

File "C:\Program Files (x86)\Drug Design\MGLtools\lib\site-packages\mglutil\ut

il\misc.py", line 19, in

import numpy.oldnumeric as Numeric

File "C:\Program Files (x86)\Drug Design\MGLtools\lib\site-packages\numpy\__in

it__.py", line 93, in

import add_newdocs

File "C:\Program Files (x86)\Drug Design\MGLtools\lib\site-packages\numpy\add_

newdocs.py", line 9, in

from lib import add_newdoc

File "C:\Program Files (x86)\Drug Design\MGLtools\lib\site-packages\numpy\lib\

__init__.py", line 4, in

from type_check import *

File "C:\Program Files (x86)\Drug Design\MGLtools\lib\site-packages\numpy\lib\

type_check.py", line 8, in

import numpy.core.numeric as _nx

File "C:\Program Files (x86)\Drug Design\MGLtools\lib\site-packages\numpy\core

\__init__.py", line 13, in

from defmatrix import *

File "C:\Program Files (x86)\Drug Design\MGLtools\lib\site-packages\numpy\core

\defmatrix.py", line 6, in

from numpy.lib.utils import issubdtype

File "C:\Program Files (x86)\Drug Design\MGLtools\lib\site-packages\numpy\lib\

utils.py", line 6, in

from numpy.core.numerictypes import issubclass_, issubsctype, issubdtype

ImportError: cannot import name issubclass_

hit enter to continue

Please help me rectify this problem.

Thank you very much in advance.

Same with me ...its showing error and scripps laboratory notes there is no need of cygwin shell and will work fine in windows systems (for 4.2 versions)

Dear Sergey Shityakov,

I am also facing similar problems in installing autodock in windows 7 64 bit. After seeing your comment, I have installed linux 14.04. And tried to install auto dock from ubuntu software center. 

But am not able to install mgl tools and facing some problems in writing commands for installing mgl tools. After that I have to launch autodock. Have tried many ways by searching google. But none of the commands were working. May be am making some mistakes in writing commands. 

Can you please help in writing commands for installing mgl tools and for launching autodock tools.

Thanks & Regards,

Manikanta 

Dear Manikanta,

I am afraid, but there is no special command, such as sudo apt-get install..., to install the MGL Tools on Linux. The problems, you're experiencing, might be linked to the MGL Tools incompatibility with newer versions of Linux (13 or 14). In order to solve this problem, you have to downgrade to the earlier version of Linux than go to the Scripps Research Insitute web-site and download the MGL Tools from there. On the other hand, you can use the AutoDock executive program directly from your command line in Linux Ubuntu. Regards, Sergey 

I don't know whether you had rectified your problem. But still, if not, you may try an another step.

copy the autogrid program file and paste it in the cygwin bin folder and you may try.

Hope it helps..

Hi

Can anyone help how to solve this problem?

C:/Program Files/MGLTools-1.5.6/autogrid4.exe: Sorry, I can't find or open Grid Parameter File "C:/Program"

C:/Program Files/MGLTools-1.5.6/autogrid4.exe:Unsuccessful Completion.

Plz help me..

Last time I faced such issues, I copied both autodock.exe, autogrid.exe and the input files in the home folder and ran adt from there. Worked for me....

@Mehreen Ghufran 

I had the same problem with you. I believed that you're working on window. I found out that the problem is that it can't identify the directory with a space (like linux that don't allow naming a fold with space in it). I solve my problem by moving the file autodock.exe to the other folder that doesn't contains any space in between. For example, I create a new directory C:\autodock, then I move the file into that folder. Then you have to define the location by C:\autodock\autodock4.exe

Hey, can anyone sent me the installation of Autodock tools for windows? The website is down and i really need it.

Thank you very much

Manimaran D can you help me?

Hi Luis,

Thanks for your interest. Kindly find the AutoDock, MGL tool (interfacial program) and Python (language) program setup files download link

Python 2.7.2 : http://bit.ly/python272

MGL Tools 1.5.6rc3 : http://bit.ly/mgltools156rc3

AutoDock Suite 4.2.6: http://bit.ly/autodock426

AutoDock Vina 1.1.2 : http://bit.ly/autodockvina112

Hope this HELPs

HAPPY Docking :-)