Tim,
Thanks - this is what I need! I am going to save wavy bonds in sd file for
structures recognized by osra. Having setWavy() wrapper would be great too.
By the way I am at the ACS meeting, are you here as well?
Igor
On Aug 20, 2012 10:23 AM, "Tim Vandermeersch"
wrote:
> On Mon, Aug 20, 2012
On Mon, Aug 20, 2012 at 4:12 PM, Tim Vandermeersch
wrote:
> On Mon, Aug 20, 2012 at 4:08 PM, Tim Vandermeersch
> wrote:
>> On Mon, Aug 20, 2012 at 3:18 PM, Igor Filippov
>> wrote:
>>> Noel,
>>>
>>> Thank you - could you give just a few lines example how to do this?
>>> I looked at the suggested
On Mon, Aug 20, 2012 at 4:08 PM, Tim Vandermeersch
wrote:
> On Mon, Aug 20, 2012 at 3:18 PM, Igor Filippov
> wrote:
>> Noel,
>>
>> Thank you - could you give just a few lines example how to do this?
>> I looked at the suggested header file and I'm still stumped :(
>
> The code to set an atom's te
On Mon, Aug 20, 2012 at 3:18 PM, Igor Filippov
wrote:
> Noel,
>
> Thank you - could you give just a few lines example how to do this?
> I looked at the suggested header file and I'm still stumped :(
The code to set an atom's tetrahedral stereochemistry to unknown goes
something like this:
#inclu
Noel,
Thank you - could you give just a few lines example how to do this?
I looked at the suggested header file and I'm still stumped :(
Igor
On Sun, 2012-08-19 at 05:48 -0400, Noel O'Boyle wrote:
> You can set the corresponding stereo config to defined=false.
> Internally stereo is not stored a
