On 06/07/12 10:27, JP wrote:
> Steifl -- that is a really crafty and less painful way how to go about
> it.
>
> The SMILES is in fact, a wget call away - since I am processing PDB
> deposited structures.
> http://www.rcsb.org/pdb/rest/describeHet?chemicalID=NAG
It is not clear to me how the SMIL
IMHO I think the main difference is that a user is a consumer of the API
(so just calling the available methods), while a "developer" is one who
builds new functionality and extends RDKit's API and internals. That the
user in this case is also a "software developer" somewhat blurs this
distinction
On 06/07/12 10:06, JP wrote:
> I just noticed that this is a "user" meeting and not a "dev" one - so
> perhaps such a topic is out of scope...
What's the difference?
A user uses python and a dev uses python, boost.python and c++?
Anyway, I too (AFAICS ATM) would be interested in your suggesti
On Fri, Jul 6, 2012 at 10:27 AM, JP wrote:
> Steifl -- that is a really crafty and less painful way how to go about it.
>
> The SMILES is in fact, a wget call away - since I am processing PDB
> deposited structures.
> http://www.rcsb.org/pdb/rest/describeHet?chemicalID=NAG
Do you want ideal ligan
I have the question connected with the topic,
Is there any temporary plan of the meeting or topics which will be
discussed during this event?
If yes where I can find it?
If no will it be announced and when?
I suggest to publish such a list of topics and to vote for most
interesting of them.
2012/
On Fri, Jul 6, 2012 at 11:06 AM, JP wrote:
> I just noticed that this is a "user" meeting and not a "dev" one - so
> perhaps such a topic is out of scope...
>
eh, that depends. C++ users of the code are also users. I'm more
concerned about having a session that only 2 people are interested in.
To
I just noticed that this is a "user" meeting and not a "dev" one - so
perhaps such a topic is out of scope...
-
Jean-Paul Ebejer
Early Stage Researcher
On 4 July 2012 16:52, Greg Landrum wrote:
> On Wed, Jul 4, 2012 at 3:38 PM, JP wrote:
> > A suggestion, if I'm allowed.
>
> suggestions are a
Steifl -- that is a really crafty and less painful way how to go about it.
The SMILES is in fact, a wget call away - since I am processing PDB
deposited structures.
http://www.rcsb.org/pdb/rest/describeHet?chemicalID=NAG
Of course, this approach is not generally applicable (and for this you'd
nee
8 matches
Mail list logo
