__
> OpenBabel-discuss mailing list
> OpenBabel-discuss@lists.sourceforge.net
> https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
>
>
--
Rajarshi Guha | http://blog.rguha.net
NIH Center for Advancing Translational Science
---
in my R fingerprint package)
--
Rajarshi Guha | http://blog.rguha.net
NIH Center for Advancing Translational Science
--
Live Security Virtual Conference
Exclusive live event will cover all the ways today's security a
is the silicos website down? Are sieve and pharo hosted anywhere else?
--
Rajarshi Guha
NIH Chemical Genomics Center
--
Magic Quadrant for Content-Aware Data Loss Prevention
Research study explores the data loss
On Sat, May 7, 2011 at 6:36 AM, Noel O'Boyle wrote:
> Can you show the cmake configure you used? (Did you compile the Python
> bindings? You might be trying to use old bindings against new shared
> libraries.)
>
> - Noel
>
> On 6 May 2011 23:48, Rajarshi Guha wrote:
&
/Library/Python/2.5/site-packages/_openbabel.so,
2): Symbol not found: __ZN9OpenBabel10OBUnitCell13GetCellMatrixEv
Referenced from: /Library/Python/2.5/site-packages/_openbabel.so
Expected in: /usr/local/openbabel/lib/libopenbabel.4.dylib
Has anyb
__
>> OpenBabel-discuss mailing list
>> OpenBabel-discuss@lists.sourceforge.net
>> https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
>>
>
> ---
xity could be limiting.
But I'm not active in this area so I may be totally off base :)
--
Rajarshi Guha
NIH Chemical Genomics Center
--
Achieve Improved Network Security with IP and DNS Reputation.
Defend agai
hpdev2dev-nov
> ___
> OpenBabel-discuss mailing list
> OpenBabel-discuss@lists.sourceforge.net
> https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
>
--
Rajarshi Guha
NIH Chemical Genomics Center
x.hyb == 3, atoms))
nsp2 = len(filter(lambda x: x.atomicnum == 6 and x.hyb == 2, atoms))
ratio = nsp3/float(nsp2+nsp3)
print mol.title, ratio
On Mon, Aug 30, 2010 at 1:04 PM, Rajarshi Guha wrote:
> Thanks for the pointer, that seemed to work. It's working now (thouhg
> I
pt for a "v3" dylib.
> Something is picking that up.
>
> Hope that helps,
> -Geoff
--
Rajarshi Guha
NIH Chemical Genomics Center
--
This SF.net Dev2Dev email is sponsored by:
Show off your parallel
r/local/openbabel/lib/libopenbabel.4.0.0.dylib
/usr/local/openbabel/lib/libopenbabel.4.dylib
/usr/local/openbabel/lib/libopenbabel.dylib
generating a symlink to satisfy the error doesn't help - I get a
missing symbo
Reason: image not found
I now realize that Openbabel is using Python 2.6 which I have in
addition to 2.5. Is there a way I can force it to compile with 2.5?
Thanks
--
Rajarshi Guha
NIH Chemical Genomics Center
--
Sell a
On Aug 29, 2010, at 5:25 PM, Noel O'Boyle wrote:
> On 29 August 2010 21:49, Rajarshi Guha
> wrote:
>>
>> On Aug 29, 2010, at 5:31 AM, Noel O'Boyle wrote:
>>
>>> Hi Rajarshi
>>>
>>> It seems that the problem was in generating the
mac ports
>
> I've never had to specify this but there is an additional option,
> "-DSWIG_DIR" which on my Windows system points to "swigwin-2.0.0/Lib",
> which hopefully will do the trick.
I'll try this out
thanks
---
ake[1]: *** [scripts/CMakeFiles/_openbabel.dir/all] Error 2
make: *** [all] Error 2
As far as I can tell, python.swg is not in the source tree.
Any pointers would be appreciated
--
Rajarshi Guha
NIH Chemical Genomics Center
--
ns for parallel performance.
> See why Intel Parallel Studio got high marks during beta.
> http://p.sf.net/sfu/intel-sw-dev
> ___
> OpenBabel-discuss mailing list
> OpenBabel-discuss@lists.sourceforge.net
> https://l
ore capable and which might support this, but my
> recollection is they are a lot more verbose, and I can't think of any
> references off-hand.
>
MQL (http://en.wikipedia.org/wiki/Molecular_Query_Language) might support
this, but as Andrew pointed out, it can be quite a bit more verbo
17 matches
Mail list logo
