ADL: How to view docked complex?

Tee Pioj tee_piorj at yahoo.com
Wed Mar 12 11:47:05 PDT 2008


Dear Richa Batra

Try to use this command:

$get-docked yourfile.dlg

Mostly, it rarely work at the first time and you need to set some environment variable like these:

in your .bashrc file in ~ (your home dir), you should write the
following: 
PATH=.:/usr/local/bin:/usr/bin:/bin:/usr/X11R6/bin:$AUTODOCK_UTI:$AUTODOCK_BIN:$AUTODOCK_HOME
AUTODOCK_BIN=/your_binary_dir_autodock           e.g. /usr/local/dist305/bin
AUTODOCK_UTI=/your_autodock_share_dir             e.g. /usr/local/dist305/share
AUTODOCK_HOME=/your_autodock_dir                  e.g. /usr/local/dist305
 
export PATH
export AUTODOCK_HOME
export AUTODOCK_BIN
export AUTODOCK_UTI

and then type wq! to save and exit

$source .bashrc (may be 2 times)

Now try to use get-docked command again, it gonna work.

Best luck,

Tee_piroj


----- Original Message ----
From: Richa Batra <richa.batra at gmail.com>
To: autodock at scripps.edu
Sent: Wednesday, March 12, 2008 4:05:52 PM
Subject: ADL: How to view docked complex?

Dear All
I have got some dlg files. n there are some 100 trials for each of them so i
have 100 docked conformations.
can anyone please tell me how to visualize these docked conformations.

Regards
Ms Richa Batra
Bioinformatics Centre,
Universtiy of Pune,
Pune, MHT, India.
Alt. Id: batra.richa at yahoo.com
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