In the OB docs, there's an example C++ program. Can you edit this so that
it reproduces the problem? Also, are you including babelconfig.h as follows?
-DOPENBABEL2_INCLUDE_DIR=C:\Tools\openbabel\trunk\include;C:\Tools\openbabel\trunk\windows-vc2008\build\include
-DOPENBABEL2_LIBRARIES=C:\Tools\ope
On Wed, May 9, 2012 at 4:42 AM, Noel O'Boyle wrote:
> In the OB docs, there's an example C++ program. Can you edit this so that
> it reproduces the problem?
>
I'll give this a try.
> Also, are you including babelconfig.h as
> follows?
> -DOPENBABEL2_INCLUDE_DIR=C:\Tools\openbabel\trunk\inclu
On Wed, May 9, 2012 at 7:42 AM, David Lonie wrote:
> On Wed, May 9, 2012 at 4:42 AM, Noel O'Boyle wrote:
>
>> In the OB docs, there's an example C++ program. Can you edit this so that
>> it reproduces the problem?
>>
>
> I'll give this a try.
>
Surprisingly, I was able to reproduce this on the
On 9 May 2012 13:22, David Lonie wrote:
> On Wed, May 9, 2012 at 7:42 AM, David Lonie wrote:
>
>> On Wed, May 9, 2012 at 4:42 AM, Noel O'Boyle wrote:
>>
>>> In the OB docs, there's an example C++ program. Can you edit this so
>>> that it reproduces the problem?
>>>
>>
>> I'll give this a try.
>>
When I try obgen on
OCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)C[C@H](O)[C@]1([C@H]2CCC2=CC(=O)CC[C@]12C)F
I get a message
WARNING: damped steplength 16.7257 to 2.25803
on stdout rather than stderr (so dumped into the SDF file making it invalid)
If I edit the SDF file to remove that message, and run o
I'm currently working with the development branch, SVN revision 4744
(snapshot from about two weeks ago). If I run "make; make install; make
test", almost every test crashes with a segmentation violation. This makes
me nervous.
Should I be worried? I haven't tried to debug it yet to find the so
> I'm currently working with the development branch, SVN revision 4744
> (snapshot from about two weeks ago). If I run "make; make install; make
> test", almost every test crashes with a segmentation violation. This makes
> me nervous.
CDash suggests that everything except MinGW should be fin
The tests are run from the build directory so you need to do the
BABEL_LIBDIR, LD_LIBRARY_PATH and BABEL_DATADIR dance. The segfaults are
mainly from loading a file format, but not checking whether it is NULL or
not.
- Noel
On 9 May 2012 19:52, Craig James wrote:
> I'm currently working with th
On Wed, May 9, 2012 at 12:59 PM, Geoff Hutchison
wrote:
>
> > I'm currently working with the development branch, SVN revision 4744
> > (snapshot from about two weeks ago). If I run "make; make install; make
> > test", almost every test crashes with a segmentation violation. This makes
> > me ner
