Many thanks Geoff
Cmake (2.6 patch 4) was indeed the problem. I installed the latest version
(2.8.7) and rebuilt. Everything OK now.
Cheers,
Ken
On 18 Mar 2012, at 20:20, Geoff Hutchison wrote:
I'm having trouble building the latest SVN release (trunk) of Openbabel
(from scratch) on
Folks
I'm trying to use Openbabel to generate a non-standard InChIKey for a few of my
metal cyanides and isocyanides (because configurations produce the same
Standard InChIKey).
Below is my code. Execution of the code leaving the comments intact yields the
Standard InChI and Standard
Hi Noel
I've been parsing the element.txt and isotope.txt files that is
provided in the distribution of OpenBabel. This has allowed me to
produce a list of InChIs and InChIKeys for all the isotopes of all the
elements (at least up to element 104 - after that the InChI generation
code
is required
- Noel
On 24 January 2011 23:29, Ken Smith k.w.sm...@qub.ac.uk wrote:
Folks
I've successfully installed OpenBabel and its python bindings several
times from the development source code on a unix box
However, I'm having difficulty the Python Bindings on a Mac. There's
no sign of any
2011, at 14:03, Noel O'Boyle wrote:
On 25 January 2011 13:31, Ken Smith k.w.sm...@qub.ac.uk wrote:
Hi Noel
I didn't have this problem on 7 December on my Linux system.
However, I did
the necessary installations (SWIG 2 and PCRE to install SWIG) and it
installed OK with the following caveats
