MGM Lab News

 

July 11, 2005: High Throughput Screening and Combinatorial Chemistry Databases Open for Alpha Testing


Dear all,

The chemical informatics databases that we established for the COBRE HTS Center and for the CMLD have progressed to the stage where we're ready to release them to the community for alpha testing.

Since everyone has a somewhat different view of what alpha testing is, let me define it for this case as being:

  1. the functionality you see is approximately as it will be in the final version; one exception to this is direct links to analytical data and spectra -- this won't happen until sometime in late August at the earliest because the networking at LSRL will apparently not be a stable part of the KU domain for another month or so
  2. things may not always behave as they should; in cases when they don't it would be great if you could send a note to us (t_bhargav1@rediffmail.com, jwfangku.edu, glushingtonku.edu) giving a brief description of what happened
  3. the server on which this database is housed has been serving a multitude of other functions; it will be transitioning toward being strictly a database server but in the next couple months before it completes this transition, you can expect the occasional disruption of service and some performance issues
  4. in general I would expect that any data and information that you generate or upload should be safe and secure (we haven't any problems with either data loss or hacking yet .... knock on wood) so anything you create now should be yours alone, and should continue to be available to you as the system progresses to the beta and production versions


The relevant web addresses are:

    http://kumgms01.msg.ku.edu:8080/hts/
    http://kumgms01.msg.ku.edu:8080/combichem/

Project leads who would like access for their group are asked to send me an e-mail requesting a group account.

A note for those of you who used our pre-alpha installation: we created an entirely new database for these new versions, so your old tables will not automatically be available for you in the new version. If you want that data transferred over, let me know and I'll help you do that.

Final note: in general the system is reasonably easy to learn how to use, and a wealth of online documentation is available at:

    http://www.chemaxon.com/products.html

but it will definitely still behoove me to set up some training for interested parties. Because of prior commitments, I don't think I'll be able to do so until late August or early September, but will try not to delay too much beyond that.

Thanks for your interest all!

Gerald Lushington, Director
Molecular Graphics and Modeling Laboratory

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