Sorry for the delay - I'm a bit short on time right now. My only other
advice is firstly to make sure that you have only one installation of
OpenBabel on your system, and secondly that either you have only one
installation of Python, or that you verify that all of the variables
related to Python
Does the Python interface work for you on a Mac?
Yes. I have no problems with Pybel using the latest development trunk. I have
not yet tried Andrew's Python script on my Mac, but I can confirm that the C++
babel command has no problem.
Cheers,
-Geoff
On Apr 12, 2010, at 3:04 AM, Geoffrey Hutchison wrote:
I'd highly suggest using SVN trunk.
Ummm, how?
It looks like the configure-based installation has been removed.
% svn co
https://openbabel.svn.sourceforge.net/svnroot/openbabel/openbabel/trunk ob-trunk
% cd ob-trunk/
% find . -name
On 12 April 2010 09:09, Andrew Dalke da...@dalkescientific.com wrote:
On Apr 12, 2010, at 3:04 AM, Geoffrey Hutchison wrote:
I'd highly suggest using SVN trunk.
Ummm, how?
It looks like the configure-based installation has been removed.
% svn co
On Apr 12, 2010, at 9:51 AM, Noel O'Boyle wrote:
There's a memory leak in readstring, at least when used with SMILES
string, even with trunk. There is a filed bug -
http://sourceforge.net/tracker/?func=detailaid=2978796group_id=40728atid=428740.
I didn't think that was the problem because I
On Apr 12, 2010, at 3:04 AM, Geoffrey Hutchison wrote:
You don't mention what version of OB you're using, but imply it's not the
latest development code. I'd highly suggest using SVN trunk.
That fails to work, in a much worse way than before.
After working with Noel to update the build
On Apr 12, 2010, at 9:01 PM, Noel O'Boyle wrote:
SetInFormat should return true for success. Does it?
import openbabel
obc = openbabel.OBConversion()
obc.SetInFormat(smi)
True
mol = openbabel.OBMol()
mol
openbabel.OBMol; proxy of Swig Object of type 'OpenBabel::OBMol *' at
0x1004e5e40
Geoff,
Does the Python interface work for you on a Mac? (BTW, I'm almost at
the stage where I can add Pybel to the test suite, but I haven't done
so yet.)
- Noel
On 12 April 2010 20:52, Andrew Dalke da...@dalkescientific.com wrote:
On Apr 12, 2010, at 9:01 PM, Noel O'Boyle wrote:
SetInFormat
