ADL: autodock Digest, Vol 58, Issue 23

Schulz, Eike Eike.Schulz at
Mon Jun 22 02:21:00 PDT 2009

Hi Ram,

if you have a linux console just type 

grep 242 yourfile.pdb > yourfile.txt

That gives you all the entries that contain the number 242 and puts them into
a file called yourfile.txt. Then delete all the waters from the pdb file and
copy the line that contains your desired water molecule from yourfile.txt to
yourfile.pdb by simple copy and paste.



Eike - Christian Schulz 

University of Goettingen
Department for Molecular Structural Biology

Justus-von-Liebig Weg 11
37077 Goettingen - Germany 
Tel: +49 551 39 19989
Fax: +49 551 39 14082

-----Ursprüngliche Nachricht-----
Von: autodock-bounces at im Auftrag von rambabu 
Gesendet: Mo 22.06.2009 10:29
An: autodock-request at
Cc: autodock at
Betreff: Re: ADL: autodock Digest, Vol 58, Issue 23
hello sir/madam...

i am new user of autodock 4. while operating this software i  am facing
problem like........"how is it possible to delete all lines of the pdb file
that conatain coordinates of water except that contain 242 numbered water

what is the way to operate text editor used to do the above netion process/."

Plz kindly reply me so i can proceed my work efficiently.,,,,

ram babu tripathi
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