Comments on: PaDEL-ADV http://voyagememoirs.com/pharmine/2009/11/09/padel-adv/ Data mining in Pharmacy Wed, 10 Mar 2010 03:03:44 +0000 http://wordpress.org/?v=2.3.2 By: vamsi http://voyagememoirs.com/pharmine/2009/11/09/padel-adv/#comment-1178 vamsi Wed, 24 Feb 2010 11:58:43 +0000 http://voyagememoirs.com/pharmine/2009/11/09/padel-adv/#comment-1178 Dear sir, I am very glad to know about padel-ADV for virtual screening but when i try to run on ubuntu linux getting following error and on windows 7 MGLTools path is not being recognized. please help me to solve this problem Thank you With regards, vamsi Error: ImportError: liblapack.so.3: cannot open shared object file: No such file or directory Traceback (most recent call last): File "/home/vamsi/MGLTools-1.5.4/MGLToolsPckgs/AutoDockTools/Utilities24/pdbqt_to_pdb.py", line 7, in from MolKit.pdbWriter import PdbWriter File "/home/vamsi/MGLTools-1.5.4/MGLToolsPckgs/MolKit/pdbWriter.py", line 16, in from MolKit.pdbParser import PdbParser File "/home/vamsi/MGLTools-1.5.4/MGLToolsPckgs/MolKit/pdbParser.py", line 50, in from MolKit.moleculeParser import MoleculeParser File "/home/vamsi/MGLTools-1.5.4/MGLToolsPckgs/MolKit/moleculeParser.py", line 15, in from MolKit.molecule import Atom File "/home/vamsi/MGLTools-1.5.4/MGLToolsPckgs/MolKit/molecule.py", line 25, in from mglutil.util import misc File "/home/vamsi/MGLTools-1.5.4/MGLToolsPckgs/mglutil/util/misc.py", line 19, in import numpy.oldnumeric as Numeric File "/home/vamsi/MGLTools-1.5.4/lib/python2.5/site-packages/numpy/__init__.py", line 103, in import linalg File "/home/vamsi/MGLTools-1.5.4/lib/python2.5/site-packages/numpy/linalg/__init__.py", line 4, in from linalg import * File "/home/vamsi/MGLTools-1.5.4/lib/python2.5/site-packages/numpy/linalg/linalg.py", line 29, in from numpy.linalg import lapack_lite ImportError: liblapack.so.3: cannot open shared object file: No such file or directory Traceback (most recent call last): File "/home/vamsi/MGLTools-1.5.4/MGLToolsPckgs/AutoDockTools/Utilities24/pdbqt_to_pdb.py", line 7, in from MolKit.pdbWriter import PdbWriter File "/home/vamsi/MGLTools-1.5.4/MGLToolsPckgs/MolKit/pdbWriter.py", line 16, in from MolKit.pdbParser import PdbParser File "/home/vamsi/MGLTools-1.5.4/MGLToolsPckgs/MolKit/pdbParser.py", line 50, in from MolKit.moleculeParser import MoleculeParser File "/home/vamsi/MGLTools-1.5.4/MGLToolsPckgs/MolKit/moleculeParser.py", line 15, in from MolKit.molecule import Atom File "/home/vamsi/MGLTools-1.5.4/MGLToolsPckgs/MolKit/molecule.py", line 25, in from mglutil.util import misc File "/home/vamsi/MGLTools-1.5.4/MGLToolsPckgs/mglutil/util/misc.py", line 19, in import numpy.oldnumeric as Numeric File "/home/vamsi/MGLTools-1.5.4/lib/python2.5/site-packages/numpy/__init__.py", line 103, in import linalg File "/home/vamsi/MGLTools-1.5.4/lib/python2.5/site-packages/numpy/linalg/__init__.py", line 4, in from linalg import * File "/home/vamsi/MGLTools-1.5.4/lib/python2.5/site-packages/numpy/linalg/linalg.py", line 29, in from numpy.linalg import lapack_lite Dear sir,
I am very glad to know about padel-ADV for virtual screening but when i try to run on ubuntu linux getting following error and on windows 7 MGLTools path is not being recognized. please help me to solve this problem

Thank you

With regards,
vamsi

Error:
ImportError: liblapack.so.3: cannot open shared object file: No such file or directory
Traceback (most recent call last):
File “/home/vamsi/MGLTools-1.5.4/MGLToolsPckgs/AutoDockTools/Utilities24/pdbqt_to_pdb.py”, line 7, in
from MolKit.pdbWriter import PdbWriter
File “/home/vamsi/MGLTools-1.5.4/MGLToolsPckgs/MolKit/pdbWriter.py”, line 16, in
from MolKit.pdbParser import PdbParser
File “/home/vamsi/MGLTools-1.5.4/MGLToolsPckgs/MolKit/pdbParser.py”, line 50, in
from MolKit.moleculeParser import MoleculeParser
File “/home/vamsi/MGLTools-1.5.4/MGLToolsPckgs/MolKit/moleculeParser.py”, line 15, in
from MolKit.molecule import Atom
File “/home/vamsi/MGLTools-1.5.4/MGLToolsPckgs/MolKit/molecule.py”, line 25, in
from mglutil.util import misc
File “/home/vamsi/MGLTools-1.5.4/MGLToolsPckgs/mglutil/util/misc.py”, line 19, in
import numpy.oldnumeric as Numeric
File “/home/vamsi/MGLTools-1.5.4/lib/python2.5/site-packages/numpy/__init__.py”, line 103, in
import linalg
File “/home/vamsi/MGLTools-1.5.4/lib/python2.5/site-packages/numpy/linalg/__init__.py”, line 4, in
from linalg import *
File “/home/vamsi/MGLTools-1.5.4/lib/python2.5/site-packages/numpy/linalg/linalg.py”, line 29, in
from numpy.linalg import lapack_lite
ImportError: liblapack.so.3: cannot open shared object file: No such file or directory
Traceback (most recent call last):
File “/home/vamsi/MGLTools-1.5.4/MGLToolsPckgs/AutoDockTools/Utilities24/pdbqt_to_pdb.py”, line 7, in
from MolKit.pdbWriter import PdbWriter
File “/home/vamsi/MGLTools-1.5.4/MGLToolsPckgs/MolKit/pdbWriter.py”, line 16, in
from MolKit.pdbParser import PdbParser
File “/home/vamsi/MGLTools-1.5.4/MGLToolsPckgs/MolKit/pdbParser.py”, line 50, in
from MolKit.moleculeParser import MoleculeParser
File “/home/vamsi/MGLTools-1.5.4/MGLToolsPckgs/MolKit/moleculeParser.py”, line 15, in
from MolKit.molecule import Atom
File “/home/vamsi/MGLTools-1.5.4/MGLToolsPckgs/MolKit/molecule.py”, line 25, in
from mglutil.util import misc
File “/home/vamsi/MGLTools-1.5.4/MGLToolsPckgs/mglutil/util/misc.py”, line 19, in
import numpy.oldnumeric as Numeric
File “/home/vamsi/MGLTools-1.5.4/lib/python2.5/site-packages/numpy/__init__.py”, line 103, in
import linalg
File “/home/vamsi/MGLTools-1.5.4/lib/python2.5/site-packages/numpy/linalg/__init__.py”, line 4, in
from linalg import *
File “/home/vamsi/MGLTools-1.5.4/lib/python2.5/site-packages/numpy/linalg/linalg.py”, line 29, in
from numpy.linalg import lapack_lite

]]> By: holger http://voyagememoirs.com/pharmine/2009/11/09/padel-adv/#comment-1141 holger Mon, 18 Jan 2010 15:50:23 +0000 http://voyagememoirs.com/pharmine/2009/11/09/padel-adv/#comment-1141 it's almost impossible to subscribe to you blog, because of the embedded header. To reproduce: open firefox, go to your blog, try to click on the "subscribe" icon in the address bar. Best, Holger it’s almost impossible to subscribe to you blog, because of the embedded header. To reproduce: open firefox, go to your blog, try to click on the “subscribe” icon in the address bar.

Best, Holger

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