Re: [Open Babel] openbabel + confab

2013-03-12 Thread Noel O'Boyle
That's true. One of those things I've never gotten around to. Maybe this is the spur I need. According to tree.hh's website, it says that it's now available under GPL v2 also. My mistake with Confab was to alter Open Babel rather than write a separate application that used the library. I didn't fe

Re: [Open Babel] openbabel + confab

2013-03-12 Thread Maciek Wójcikowski
According to current webpage of tree.hh it's released on GPL3 OR 2 [ http://tree.phi-sci.com/] Pozdrawiam, | Best regards, Maciek Wójcikowski mac...@wojcikowski.pl 2013/3/12 Geoffrey Hutchison > > For some internal purposes, I wanted a combined openbabel/confab code > > base, so I merge

Re: [Open Babel] obabel and fingerprints

2013-03-12 Thread Chris Swain
> Message: 4 > Date: Sun, 10 Mar 2013 21:02:41 + > From: Chris Morley > Subject: Re: [Open Babel] obabel and fingerprints > To: openbabel-discuss@lists.sourceforge.net > Message-ID: <513cf4f1.2000...@gaseq.co.uk> > Content-Type: text/plain; charset=ISO-8859-1; format=flowed > > On 10/03/2013

[Open Babel] missing attributes in 2.3.2 (Python)

2013-03-12 Thread Hannes Loeffler
Hi, I compiled 2.3.2 but find that some classes, e.g. OBAlign, and possibly other stuff is absent from openbabel.py. I passed -DRUN_SWIG=ON to cmake and swig does create openbabel.py. The other odd thing is that 'make install' copies openbabel.py, pybel.py and _openbabel.so into $CMAKE_INSTALL_P

Re: [Open Babel] missing attributes in 2.3.2 (Python)

2013-03-12 Thread Noel O'Boyle
1. Eigen3 is required for some classes such as OBAlign. See the install docs. 2. The "make install" is installing the files to where we expect. It's not possible for us to figure out in the general case where Python would install things (I regard this as a failure on Python's side, rather than ours

Re: [Open Babel] Vinay M

2013-03-12 Thread Vinay M
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