[Open Babel] Windows 7 (64 bit) compatibility

2011-06-28 Thread Richard V. Williams
Are there any known compatibility issues of Babel 2.3.0a with Windows 7 (64 bit). I have been unable to get Babel to work on my new Windows machine. Thanks. -- Dr. Richard V. Williams Professor of Chemistry Department of Chemistry University of Idaho PO Box 442343 Moscow, ID 83844-2343 USA P

[Open Babel] Help: everything compile well... But no results

2011-06-28 Thread Marianne
Hello I am new to using the openbabel API and really exciting to use OB. I have an existing C++ program in MSVC2008, I would like to use some of the functions in Openbabel (Isomorphism). I followed the instructions on the website and built the windows-vc2008 and then tried to add the sample code

Re: [Open Babel] Windows 7 (64 bit) compatibility

2011-06-28 Thread Noel O'Boyle
There are no known issues, but it may be a good idea to uninstall any existing installations of Open Babel, before installing. What is the specific problem? - Noel On 23 June 2011 19:37, Richard V. Williams wrote: > Are there any known compatibility issues of Babel 2.3.0a with Windows 7 > (64 b

Re: [Open Babel] Segfault cause?

2011-06-28 Thread Chris Morley
On 28/06/2011 01:02, A. Heifets wrote: > Any obvious idea why the following file causes a segfault with "obabel > -isdf junk.sdf -osdf -Ofoo.sdf"? It's something to do with the R > groups because, if I replace them with 'C', the file works. Is there > a way to skip generating output instead of ma

Re: [Open Babel] Segfault cause?

2011-06-28 Thread A. Heifets
Based on Chris Morley's response to a previous question [1], I checked out the latest SVN build and tested it on this file. The files *does not* cause segfault with the latest checkout, so please ignore my question. It's already handled. Thank you! [1] https://sourceforge.net/tracker/?func=det

Re: [Open Babel] problems compiling openbabel on 64bit RHEL5

2011-06-28 Thread Geoffrey Hutchison
> Sorry if this problem is obvious to the experts but I can’t get OB to compile Well, you got it to compile, but as you noticed, the tests didn't all pass. What version of gcc are you using? "gcc -v" CentOS has had a buggy version of g++. -Geoff

Re: [Open Babel] Segfault cause?

2011-06-28 Thread Geoffrey Hutchison
> The files *does > not* cause segfault with the latest checkout, so please ignore my > question. It's already handled. Thank you! No sweat. Obviously, we like to track down every crash. -Geoff -- All of the data gener

Re: [Open Babel] problems compiling openbabel on 64bit RHEL5

2011-06-28 Thread Noel O'Boyle
It seems like it compiled fine. Try "make install", and away you go. - Noel On 27 June 2011 17:05, Mike Lipkin, BioFocus wrote: > Hi, > > > > Sorry if this problem is obvious to the experts but I can’t get OB to > compile > > > > Here are the messages from cmake > > > > mlip...@cpwork6.glpg.com

Re: [Open Babel] problems compiling openbabel on 64bit RHEL5

2011-06-28 Thread Geoffrey Hutchison
Yes, you have the infamous buggy gcc-4.1. Try: yum install gcc44 gcc44-c++ Hope that helps, -Geoff On Jun 28, 2011, at 11:27 AM, Mike Lipkin, BioFocus wrote: > Thanks for the reply, > > I am using gcc 4.1.2 > > Currently I have openbabel 2.2.3 installed and two programs using it > (I don't

Re: [Open Babel] Windows 7 (64 bit) compatibility

2011-06-28 Thread Noel O'Boyle
I don't recommend that you use 2.1.1 instead of 2.3.0, so let us know if you want to track down the problem... - Noel On 28 June 2011 17:01, Richard V. Williams wrote: > Noel, > >    Thanks for your message.  I was starting from a new machine - no previous > installations.  The problem, could re