Hi there,
Sorry I think I sent the last mail to the wrong recipient and with the
wrong structure image in. Basically I am having an issue where some
structures depicted are being truncated e.g.
I am using cairo and pango for the depictions. I have found that if I
manually alter the value in Chem/Draw/MolDrawing.py from the default 12 to
a lower value this remedies the issue:
class MolDrawing(object):
...
atomLabelFontSize = 12 #Decrease this...
I was wondering though if this setting can be controlled from the API? Or
whether there is a better way of doing this?
Many thanks again
Huw
On 1 January 2013 02:12, Huw Jones <[email protected]> wrote:
> That's brilliant thanks! One other thing - I have installed cairo and
> pango but have noticed that some depictions are truncated e.g.
>
>
> It feels like the font size is not being taken into account - is there
> anything in the Draw API to change the cairopango settings?
>
> Kind regards
>
> Huw Jones
>
>
> On 29 December 2012 14:31, Greg Landrum <[email protected]> wrote:
>
>>
>> On Saturday, December 29, 2012, Huw Jones wrote:
>>
>>> >>> from rdkit import Chem
>>> >>> from rdkit.Chem import Draw
>>> >>> mol = Chem.MolFromSmiles("C")
>>> >>> Draw.MolToImageFile(mol,"C:\\test.png")
>>>
>>> Appears blank? "CC" works fine, "N" works fine.
>>>
>>> Did I miss a setting or function? Tested with and without cairo - seems
>>> unaffected.
>>>
>>
>> Sounds like a bug: only heteroatoms are drawn correctly when they aren't
>> connected to anything else. I will fix it for the next release.
>>
>> -greg
>>
>>
>>> rdkit Release_2012.09.1
>>>
>>> Kind regards
>>>
>>> Huw
>>>
>>
>
>
> --
> [email protected]
>
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