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about covalent dock
http://mgl.scripps.edu/forum/viewtopic.php?f=9&t=3330
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Author:  violetmary [ Tue Oct 25, 2016 2:14 pm ]
Post subject:  about covalent dock

oem@viji /usr/local/covalentdock/scripts $ su
Password:
viji scripts # rm -rf bond
viji scripts # rm -rf prep
viji scripts # /usr/local/covalentdock/scripts/preprocessing
cp: cannot stat '/root/B-bond/autodock/googlecode/covalentdock/scripts/*': No such file or directory
cp: cannot stat '../_ligand.mol2': No such file or directory
cp: cannot stat '../_receptor.pdb': No such file or directory
Processing receptor...
/usr/local/covalentdock/scripts/preprocessing: line 15: ./receptor_prep: No such file or directory
Processing ligand...
Preparing for non-covalent docking files...
/usr/local/covalentdock/scripts/preprocessing: line 23: /bin/pythonsh: No such file or directory
/usr/local/covalentdock/scripts/preprocessing: line 24: /bin/pythonsh: No such file or directory
cp: cannot stat '_receptor_unbond.pdbqt': No such file or directory
cp: cannot stat '_ligand_unbond.pdbqt': No such file or directory
cp: cannot stat '_unbond.gpf': No such file or directory
cp: cannot stat '_unbond.dpf': No such file or directory
Preparing for covalent docking files...
ls: cannot access '*ligand_bond_*.pdbqt': No such file or directory
/usr/local/covalentdock/scripts/preprocessing: line 59: /bin/pythonsh: No such file or directory
grep: get_npts: No such file or directory
grep: get_npts: No such file or directory
grep: get_npts: No such file or directory
/usr/local/covalentdock/scripts/preprocessing: line 63: *2: syntax error: operand expected (error token is "*2")
/usr/local/covalentdock/scripts/preprocessing: line 64: /bin/pythonsh: No such file or directory
grep: _bond.gpf: No such file or directory
grep: _bond.gpf: No such file or directory
grep: _ligand*.pdbqt: No such file or directory
grep: _ligand*.pdbqt: No such file or directory
cp: cannot stat '_bond.gpf': No such file or directory
cp: cannot stat '_receptor_bond.pdbqt': No such file or directory
Preprocessing done!

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