[Openchemistry-developers] Sample CSV data for mongochem?

[Eric E. Monson]

Hey Marcus,

Thanks a lot for the help. I'll try following Kyle's instructions to get some data in, but I'll let you know if it would help to have a snapshot of your database to start with. (That might not be a bad idea as an option for download if people want to try out the app.)

I'll let you know how things go as I play, and send you guys some notes on the wiki and my build experiences. I'm impressed with all the open chemistry super build stuff you set up, but unfortunately I didn't know that existed as an option at first. :)

Hope your talk went well!
-Eric


On Feb 2, 2013, at 10:27 AM, Marcus D. Hanwell <marcus.hanwell at kitware.com> wrote:

> On Fri, Feb 1, 2013 at 2:45 PM, Eric E. Monson <emonson at cs.duke.edu> wrote:
>> Hey guys,
>> 
>> I've been using VTK charts for a GUI I built a while ago, and Marcus mentioned to me recently (on the VTK-dev list) that MongoChem had some good example code, so I've been trying to check it out. I was able to build it okay (I have some notes on that experience if you're interested), but I was wondering if there is someplace I can get some sample data to populate my database? I'm not totally ignorant of chemistry, but it's not my field, and it's not clear where I could get a decent-sized CSV file with the right format and data.
>> 
> I would be interested in any problems you had building, we are working
> on making it as smooth as possible (there are a few issues we are
> looking into). As Kyle pointed out you can download PubChem data, if
> you are interested in getting something to play with then we could
> probably make a snapshot of our small database with some example 2D
> images, descriptors etc. There is some binary data in there (images),
> but we can take a look so that you could just populate a sample
> database quickly if that is useful.
> 
> Definitely let us know what you think of it, and let us know if we can
> help you as you are taking a look.
> 
> Marcus