[image: Inline images 1]
On 23 January 2013 13:50, Huw Jones <[email protected]> wrote: > Ah sorry realised I pasted the URL link not the image. Will post it in a > bit. Apologies. > > > On 23 January 2013 12:54, Huw Jones <[email protected]> wrote: > >> 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] >>> >> >> >> >> -- >> [email protected] >> > > > > -- > [email protected] > -- [email protected]
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