CCL: W:Disclose your data, or not publish !

 Sent to CCL by: jle [jle---theworld.com]
 Replace --- with --- to recover original email address.
 On Sep 15, 2005, at 4:15 PM, CCL wrote:
 
 Sent to CCL by: "Ivanciuc, Ovidiu I." [oiivanci+*+utmb.edu]
 Re: Disclose your data, or not publish !
 While computational models of proteins can be deposited in PDB,
 there is no public database for computational models of
 organic compounds (including MD simulations and docking
 results).
 A simple solution for publishers would be to ask for
 mandatory deposition of such data as supplementary materials.
 
 Perhaps interesting in the abstract, but a number of problems
 come to mind:
 1. If publishers hold the data, would we not have to check with
 each publisher in turn to get the information?  And if so, how much
 would it cost?
 2. We are, err, blessed with a wide range of file formats, many of
 which aren't described, or even readable.  Whose formats would
 be supported, and would the vendors and other authors provide
 the necessary conversion routines?
 3. I would think the modeling community produces WAY more
 data than the Xtal community.  I am unaware of modeling packages
 which sit atop databases so as to organize a single user's or site's
 data.  How can those holding the data organize the sheer mass
 of data provided by the manuscript's authors.
 If we're going to even start proposing "modeling databases",
 lets first settle the data/file format and other mundane yet
 necessary things first.
 Joe Leonard
 jle---theworld.com
 
 Regards,
 Ovidiu
 *********************************
 Ovidiu Ivanciuc
 Sealy Center for Structural Biology,
 Department of Human Biological Chemistry & Genetics,
 University of Texas Medical Branch,
 301 University Boulevard,
 Galveston, Texas 77555-0857
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