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PostPosted: Wed Jul 22, 2009 6:52 am 
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Joined: Wed Jul 22, 2009 6:27 am
Posts: 2
Hi,
I am using autodock 4 through ADT.Fortunately, everything run well with me except i didn't get the way to extract out the best pdb-ligand confermation. :roll: However these are some script to do it on
http://autodock.scripps.edu/faqs-help/f ... formations

aand they are doing good job. Among these script , only this script

"set a=`grep ENDMDL my_docking.pdb | wc -l`
set b=`expr $a - 2`
csplit -k -s -n 3 -f my_docking. mydocking.pdb '/^ENDMDL/+1' '{'$b'}'
foreach f ( mydocking.[0-9][0-9][0-9] )
mv $f $f.pdb
end
"

is not do its work for me :shock: .Can any one explain it. shoule i give alll commond simulataneoly or line by line . i have been using cygwin for this purpose :).


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