Re: [Rdkit-devel] drawing amino acids

[Igor F. <igo...@gm...>]

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: rdMolDraw2D.PrepareMolForDrawing() is a useful function to know
> about.
>
I am doing it from c++, is there an equivalent there?

Best regards,
Igor



>
> -greg
>
>
> On Thu, Sep 7, 2017 at 2:16 PM, Igor Filippov <igo...@gm...>
> wrote:
>
>> Dear Colleagues,
>>
>> I seem to remember there already was a discussion about this,
>> but I cannot find the relevant email thread, nor recall what was the
>> conclusion.
>>
>> When I try to draw the following molecule I am getting an image of a few
>> pixels in size, quite
>> unusable.
>>
>> NC(=O)C(N)CCCC[NH3+]
>>
>> Has anyone else seen this problem?
>>
>> Best regards,
>> Igor
>>
>>
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>