Hi Ori,
Thanks for that. The error is my fault as Python 3.1 has changed the
print statement to a function. You should instead type the following:
print(mol.write("sdf"))
Hopefully this should work fine.
- Noel
On 12 May 2010 17:47, ori kalid <[email protected]> wrote:
> Hi,
> I've just installed python3.1, open babel 2.2.3 and pybel.
> I ran the tests for pybel installation and I am getting errors on the
> ">>>print mol.write("sdf")" command.
> As advised on the installation website, I am sending you the output from the
> test commands (see below).
>
> What should I do?
>
> Best regards,
>
> Ori
>
> output from test commands:
>
> Microsoft Windows XP [Version 5.1.2600]
> (C) Copyright 1985-2001 Microsoft Corp.
>
> C:\Documents and Settings\ginati>cd C:\Documents and Settings\ginati\My
> Document
> s\Ori\LEDGF\Libaries
>
> C:\Documents and Settings\ginati\My Documents\Ori\XXX\Libaries>babel -V
> Open Babel 2.2.3 -- Aug 18 2009 -- 16:21:20
>
> C:\Documents and Settings\ginati\My Documents\Ori\XXX\Libaries>babel -Hsdf
> sdf MDL MOL/SDF format
> Reads and writes V2000 and V3000 versions
> Write Options, e.g. -x3
> 3 output V3000 not V2000 (used for >999 atoms/bonds)
> m write no properties
>
> Input Options, e.g. -av
> v AtomValue in V line is NOT a partial charge
>
>
> Specification at: http://www.mdl.com/downloads/public/ctfile/ctfile.jsp
>
> C:\Documents and Settings\ginati\My Documents\Ori\XXX\Libaries>dir
> "%BABEL_DAT
> ADIR%"\OBGUI.exe
> Volume in drive C has no label.
> Volume Serial Number is 34F7-04B6
>
> Directory of C:\Program Files\OpenBabel-2.2.3
>
> 08/18/2009 06:20 PM 1,253,376 OBGUI.exe
> 1 File(s) 1,253,376 bytes
> 0 Dir(s) 180,960,583,680 bytes free
>
> C:\Documents and Settings\ginati\My
> Documents\Ori\LEDGF\Libaries>c:\Python31\pyt
> hon.exe
> Python 3.1.1 (r311:74483, Aug 17 2009, 17:02:12) [MSC v.1500 32 bit (Intel)]
> on
> win32
> Type "help", "copyright", "credits" or "license" for more information.
>>>> import pybel
>>>> mol = pybel.readstring("smi", "CC(=O)Br")
>>>> mol.make3D()
>>>> print mol.write("sdf")
> File "<stdin>", line 1
> print mol.write("sdf")
> ^
> SyntaxError: invalid syntax
>>>>
>
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