Joined: Tue Mar 06, 2012 7:15 pm Posts: 14
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Hi I am trying to dock a list of 100 ligand molecules on a receptor molecule. I am running autodock vina from within cygwin installed in a windows machine. I tried to use the bash script as in the tutorial page : #! /bin/bash
for f in ligand_*.pdbqt; do b='basename $f .pdbqt' echo Processing ligand $b mkdir -p $b vina --config conf.txt --ligand $f --out ${b}/out.pdbqt --log ${b}/log.txt done
------And my cygwin commnad was: a)First i went into the directory:cd /cygdrive/c/Program\ Files/The\ Scripps\ Research\ Institute/vina b)then used "./test.sh" to run the script. c) vina.exe is in the same directory "vina"
-----It gave the following error. ./test.sh: line 2: $'r\r': command not found ./test.sh: line3:syntax error near unexpected token '$'do\r' ' '/test.sh: line3: 'for f in ligand_*.pdbqt; do
-----My conf file: receptor = receptor.pdbqt
center_x = 2 center_y = 6 center_z = -7
size_x = 25 size_y = 25 size_z = 25
exhaustiveness = 8
The ligand file names: ligand_01.pdbqt etc The ligand files and the bash script file are in the same directory(vina).
May i ask where i am going wrong.Will greatly appreciate your help. Best Regards saharinku
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