It would indeed be cool, but it might be too specialised for them.
I will follow up and ask if you'd like, but I'd need a bit more
information about what would be involved.
Tim
On 12/05/2015 02:53, Greg Landrum wrote:
Hi Tim,
On Mon, May 11, 2015 at 6:25 PM, Tim Dudgeon
Hello Guillaume,
you have a vector of unsigned int SparseIntVectboost::uint32_t” which is a
vector of unsigned int.
Looking at the C++ public member function you can find “getVal(int index)”
which give to you the correspondent bit as integer value.
So, you can iterate and convert to a string
Dear Marco,
I find a solution!
I prepare a github to explain it
best regards,
Dr. Guillaume GODIN
Project Manager
Innovation
CORPORATE RD DIVISION
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I thinks is a linking problem.
Do you link libSmilesParse.so?
from your line it seems that you link only -Llib/libGraphMol.so
-Llib/libDescriptors.so -Llib/libRDGeneral.so -Llib/libRDGeometryLib.so
Marco
On 12 May 2015, at 12:53, Guillaume GODIN guillaume.go...@firmenich.com
wrote:
Dear Guillaume,
On Wed, May 13, 2015 at 6:35 AM, Guillaume GODIN
guillaume.go...@firmenich.com wrote:
Dear All,
I would like to port RDKit to nodejs.
What is the licence type I should take ?
The RDKit's license, the new BSD license, is compatible with all
open-source licenses that I'm
Dear Marco,
Thanks for the tips.
I now look at expose the RDKit class directly in JS using emscripten.
I have a issue there :
//--** code of the rdmol.cpp
#include emscripten/bind.h
#include GraphMol/ROMol.h
#include GraphMol/SmilesParse/SmilesParse.h
#include
Dear all,
This year’s RDKit UGM will offer for the first time the opportunity to present
posters. If you would like to bring a poster please send Sereina and me an
email. You do not have to provide a title right now, but as the available space
is limited, poster slots will be allocated on a
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