Great - thanks, I'll try it!
Igor
On Fri, Sep 8, 2017 at 8:27 AM, Greg Landrum wrote:
>
> On Fri, Sep 8, 2017 at 2:10 PM, Igor Filippov
> wrote:
>
>>
>>>
>>> Could it be that you didn't generate coordinates for the molecule?
>>>
>>> The result is the same for me whether I load the molecule fro
On Fri, Sep 8, 2017 at 2:10 PM, Igor Filippov
wrote:
>
>>
>> Could it be that you didn't generate coordinates for the molecule?
>>
>> The result is the same for me whether I load the molecule from an SD file
> with coordinates, or generate 2D or 3D coordinates on the fly.
> Does it display correc
Greg,
Thank you for the quick reply.
> Could it be that you didn't generate coordinates for the molecule?
>
> The result is the same for me whether I load the molecule from an SD file
with coordinates, or generate 2D or 3D coordinates on the fly.
Does it display correctly for you?
> BTW: rdMol
Hi Igor,
Could it be that you didn't generate coordinates for the molecule?
BTW: rdMolDraw2D.PrepareMolForDrawing() is a useful function to know about.
-greg
On Thu, Sep 7, 2017 at 2:16 PM, Igor Filippov
wrote:
> Dear Colleagues,
>
> I seem to remember there already was a discussion about th
