Re: [Rdkit-discuss] Beta of Q3 2010 release up

[James D. <J.D...@ve...>]

Hi Greg,

Greg wrote: 
> I just uploaded a new version of the zip file that contains the
> relevant boost dlls. The filename is in the same place (with the same
> name):
>
http://code.google.com/p/rdkit/downloads/detail?name=RDKit_Q32010_1beta1
.win32.py26.zip
> 
> Note that the install instructions have changed with this release and
> that you should add $RDBASE/lib to your path instead of $RDBASE/bin.
> 
> hopefully this fixes the problems some of you were having and sorry
> again for the mistake,

Thanks for the updated binary installer - that sorted things out!

I had a very quick look to see if some things that I have depending on
RDKit still play nice.  So far, they certainly seem to - they just don't
look as nice while doing it!  I'm sure it will be a trivial fix, but on
Q22010_1 the following gives nicely anti-aliased(?) images:

from rdkit import Chem
from rdkit.Chem import Draw
mol = Chem.MolFromSmiles('n1ccccc1CCCOC')
Draw.MolToImageFile(mol, r'C:\Q2_test.png')

whereas the corresponding in Q32010_1beta1 gives a rather
raggedy-looking molecule (example PNGs attached).  For info, I have
PIL(1.1.7) and aggdraw(1.2a3) installed under Python 2.6; and also have
a set of DLLs in a cairo folder in python26\Lib\site-packages - but get
an error if I try 'import cairo' (and can't remember why I put them
there!)

Kind regards

James

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