ADL: Raccoon

pawan raghav pwnrghv at gmail.com
Sun Mar 7 09:06:47 PST 2010


 Dear Forli,

    I am using Autodock from 2008 and I have posted lot of mails on this but
I don't get any response from your side. So Please solve my problem as I am
in need. My problem is about the raccoon that when executing ./RunVS.sh or
bash ./RunVS.sh it showed an error i.e. nError: the file [$AUTODOCK] doesn't
exist or is not executable\n. I am using autodock on windows by using
cygwin. I have installed all the files in
/cygdrive/c/cygwin/usr/local/bin/i86Cygwin/Bcl_2 directory and autodock.exe
file in =/cygdrive/c/cygwin/usr/local/bin/i86Cygwin/autodock4 directory. so
please tell me how to specified correct path in
export AUTODOCK= "------------------".


*RunVS.sh*

### Generated by AutoDock Raccoon

export AUTODOCK=/cygdrive/c/cygwin/usr/local/bin/i86Cygwin/autodock4

type $AUTODOCK &> /dev/null || {

echo -e "\nError: the file [$AUTODOCK] doesn't exist or is not
executable\n";

echo -e "Try to specify the full path to the executable of the AutoDock
binary in the $0 script";

echo -e "( i.e. export AUTODOCK=/usr/bin/autodock4 )\n\n";

echo -e " [ virtuals screening aborted]\n"

exit 1; }

export AUTOGRID=C:/cygwin/usr/local/bin/i86Cygwin/autogrid4

type $AUTOGRID &> /dev/null || {

echo -e "\nError: the file [$AUTOGRID] doesn't exist or is not
executable\n";

echo -e "Try to specify the full path to the executable of the AutoGrid
binary in the $0 script";

echo -e "( i.e. AUTOGRID=/usr/bin/autogrid4 )\n\n";

echo -e " [ virtuals screening aborted]\n"

exit 1; }

echo ' ________________________________________________________________'

echo '
__________//___________________________/////___________________/____________'

echo '
_________/__/__________________________/____/__________________/____________'

echo '
________/____/___________/_____________/_____/_________________/____________'

echo '
________/____/__/_____/_/////___/////__/_____/__/////___/////__/___/________'

echo '
_______/______/_/_____/__/_____/_____/_/_____/_/_____/_/_____/_/_//_________'

echo '
_______////////_/_____/__/_____/_____/_/_____/_/_____/_/_______//_/_________'

echo '
_______/______/_/____//__/___/_/_____/_/____/__/_____/_/_____/_/___/________'

echo '
_______/______/__////_/___///___/////__/////____/////___/////__/____/_______'

echo ' ________________________________________________________________'

echo ' ______ '

echo ' / \ '

echo ' / \ '

echo ' / \ Raccoon'

echo ' \ /\ / Virtual '

echo ' \ / \ / Screening '

echo ' \/ /\ \/ Generation '

echo ' /\ \ '

echo ' /\ \__\ version 1.0b '

echo ' / \__\ '

echo ' /____\ '

echo -e "\n == Press ENTER to start the calculation =="

read X

echo 'Docking 5-9_Bcl_2'

cd 5-9_Bcl_2

./run.sh

cd ..

echo 'Docking 7-11_Bcl_2'

cd 7-11_Bcl_2

./run.sh

cd ..

echo 'Docking 10-14_Bcl_2'

cd 10-14_Bcl_2

./run.sh

cd ..

echo 'Docking 9-13_Bcl_2'

cd 9-13_Bcl_2

./run.sh

cd ..

echo 'Docking 4-8_Bcl_2'

cd 4-8_Bcl_2

./run.sh

cd ..

echo 'Docking 1-5_Bcl_2'

cd 1-5_Bcl_2

./run.sh

cd ..

echo 'Docking 8-12_Bcl_2'

cd 8-12_Bcl_2

./run.sh

cd ..

echo 'Docking 6-10_Bcl_2'

cd 6-10_Bcl_2

./run.sh

cd ..

echo 'Docking 2-6_Bcl_2'

cd 2-6_Bcl_2

./run.sh

cd ..

echo 'Docking 11-15_Bcl_2'

cd 11-15_Bcl_2

./run.sh

cd ..

echo 'Docking 3-7_Bcl_2'

cd 3-7_Bcl_2

./run.sh

cd ..

echo 'Calculation completed.'

read X


-- 
Pawan
Bioinformatician


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