Dear all,
This morning I had the chance to look at this on a machine with cairo installed.
There were a couple of problems that were making this happen.
Uwe caught the first already: the convertColor() function was
returning the wrong values.
The second problem was with using the cairoCanvas an
Dear Greg,
- I am sure I included "install" in the bjam command line
- I have only
/c/boost/lib/libboost_regex-vc90-mt-1_43.lib
and
/c/boost/lib/libboost_regex-vc90-mt.lib
-and I have not added 1.43 to the
Boost_ADDITIONAL_VERSIONS line
So, will add it and try again
Regards,
Evgueni
On 29
Hi Evgueni,
On Thu, Jul 29, 2010 at 10:14 AM, Evgueni Kolossov wrote:
>
> I have done exactly as you described it now and build boost with regex
> Unfortunately I have the same problems as before:
>
> Boost version: 1.43.0
> Found BISON: C:/cygwin/bin/bison.exe
> Found FLEX: C:/cygwin/bin/flex.e
from aggdraw import Draw
should be successfull
Am Donnerstag, den 29.07.2010, 13:01 +0200 schrieb Peter Schmidtke:
> Hi,
>
> I applied the patch but it's still the same problem. How can I specify that I
> want to use the agg canvas instead of cairo?
>
> ++
>
> Peter
>
>
> On 29/07/2010, at
Hi,
I applied the patch but it's still the same problem. How can I specify that I
want to use the agg canvas instead of cairo?
++
Peter
On 29/07/2010, at 12:01, Uwe Hoffmann wrote:
> Hi,
>
> is it possible that you use cairo (canvas) and not agg (canvas) ?
> Maybe I made an error with the
On Thu, Jul 29, 2010 at 10:14 AM, Evgueni Kolossov wrote:
> Hi Greg,
>
> I have done exactly as you described it now and build boost with regex
> Unfortunately I have the same problems as before:
>
> Boost version: 1.43.0
> Found BISON: C:/cygwin/bin/bison.exe
> Found FLEX: C:/cygwin/bin/flex.exe
Hi,
is it possible that you use cairo (canvas) and not agg (canvas) ?
Maybe I made an error with the "cairo colours".
In case you use cairo apply the following patch and test again (I'm not able
to test it right now).
--- rdkit/Chem/Draw/cairoCanvas.py (Revision 1467)
+++ rdkit/C
On Thu, Jul 29, 2010 at 11:09 AM, Peter Schmidtke wrote:
>
> interesting, I thought it was intended to be so :)
I sometimes have strange ideas, but I'm not *that* insane. ;-)
> I use the following code :
>
> import rdkit.Chem as chem, rdkit.Chem.Draw as chemDraw
>
> ligand=chem.MolFromSmiles(sm
Ah,
interesting, I thought it was intended to be so :)
I use the following code :
import rdkit.Chem as chem, rdkit.Chem.Draw as chemDraw
ligand=chem.MolFromSmiles(smilesCode)
if ligand:
chemDraw.MolToImageFile(ligand,tmpdir+os.sep+"test.gif", size=(250, 98),
kekulize=
On Thu, Jul 29, 2010 at 9:23 AM, Peter Schmidtke wrote:
> Hey all,
>
> I always wondered, why colours in the 2D depictions in Rdkit are red for
> nitrogens and blue for oxygens?
>
I would also wonder if I saw something like that. It doesn't happen
for me though. How are you generating depictions
Hey all,
I always wondered, why colours in the 2D depictions in Rdkit are red for
nitrogens and blue for oxygens?
Peter Schmidtke
-
PhD Student
Department of Physical Chemistry
School of Pharmacy
University of Barcelona
Barcelona, Spain
--
Greg,
Is it possible you have a wrong name for regex - it looking for boost_regex
but library actually called libboost_regex
Regards,
Evgueni
On 29 July 2010 09:14, Evgueni Kolossov wrote:
> Hi Greg,
>
> I have done exactly as you described it now and build boost with regex
> Unfortunately
Hi Greg,
I have done exactly as you described it now and build boost with regex
Unfortunately I have the same problems as before:
Boost version: 1.43.0
Found BISON: C:/cygwin/bin/bison.exe
Found FLEX: C:/cygwin/bin/flex.exe
CMake Error at C:/Program Files/CMake
2.8/share/cmake-2.8/Modules/FindBoo
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