or example what Silicos has done: http://silicos-it.com)
>
> Hope that helps,
> -Geoff
>
> On Jul 23, 2013, at 6:22 AM, Peter Schmidtke wrote:
>
>> Dear all,
>>
>> I was wondering if and how it would be possible to include Openbabel
>> binaries in a Pipeline Pi
this way and distribute the package as is? Do we need a prior agreement
from the developers?
Thanks in advance.
--
Peter Schmidtke, Ph.D.
Scientific Project Manager
Discngine
33, rue Faubourg St Antoine
75011 Paris
France
ll, if present.
>
> So something like:
>
> obabel blah.xyz -O gaussian.com -xb
>
> Let me know if that works.
>
> -Geoff
--
--
Peter Schmidtke, Ph.D.
Scientific Project Manager
Discngine
33, rue Faubourg St Antoine
75011 Paris
France
---
Dear all,
thanks for the info. Indeed I am aware that most of the time there is no
notion of connectivity, but I ran into problems when using the
geom=connectivity option. Right now the only work-around is not to use
the geom=connectivity option in Gaussian with Openbabel written molecules.
++
e for your help.
Peter Schmidtke
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Op
Dear Noel,
thanks for the tip, this fixed it indeed.
Cheers.
Peter
On 12/15/2011 09:00 AM, Douglas Houston wrote:
> Thankyou Peter and Noel, I was having the exact same problem.
>
>
> Quoting Peter Schmidtke on Thu, 15 Dec 2011
> 08:12:11 +0100:
>
>> Ah ok, I'l
older.
>
> - Noel
>
> On 14 December 2011 21:50, Peter Schmidtke
> wrote:
>> Dear OpenBabel community,
>>
>> I'm trying to install openbabel (version 2.3.1) on a Centos 5.5 64bit
>> machine with perl bindings.
>>
>> I manage to compile
don't understand why. The obabel standalone
works, the perl bindings don't seem to work.
How can check what is wrong? Somebody had similar issues on such a system?
Attached here only the beginning of the log of make test.
Thanks in advance for every help-
Peter Schmidtke
Test pro
