On Feb 16, 2010, at 4:41 AM, Egon Willighagen wrote:

> [...]

>> CML is offered to the community as an IMPLEMENTED VERIFIABLE  
>> VALIDATABLE
>> specification. Anyone who wishes to help with the critical work of  
>> creating
>> reference examples, validation code, unit tests etc. would be highly
>> welcomed. It's hard and boring and you don't get many publications.  
>> It
>> necessarily has to be COORDINATED. But if anyone wishes to  
>> participate we'd
>> be delighted.
>
> So, the arugment that was made on the Blue Obelisk Exchange is how
> this is any different from MDL molfiles, Daylight SMILES, SMD (I'd
> never heard about before)... has anyone ever attempted to contribute
> to those standards (formally or informally), and been refused?
>
>> Personally I think that is "Open". It's as precise as the "Open" in  
>> "Open
>> Data" which is NOT a formal licence but an intent.
>
> To me, the point of the discussion is to be able to explain which
> specficiations/standards are Open, and should be promoted, and which
> not.
>


I have somewhat different take in that I'm most interested in knowing  
what I can and can not do with a particular tool. Obviously no single  
phrase is going to completely capture all that might be worth saying  
in this regard so that we should make clear that any classification is  
at best a useful first pass in deciding which tool is best for a  
particular job.

It also seems to me that the relative weight for the different aspects  
discussed can change for different uses. At DTP we mainly use MDL sdf  
format to make chemical structure data available. It is important for  
that purpose that we be able to freely implement sdf readers and  
writers, and it is important that the use of that format doesn't lock  
potential users of the data into any particular software or any  
particular vendor, but it is not important that we can't modify the  
format. I'm not sure anyone here would argue that if the sdf format is  
declared not open (or not recommended) that it would be overall a good  
thing for the research community for DTP to take down any sdf format  
files and refuse to create any more. On the other hand, if we were to  
work on ways to provide better structural information and that work  
included modifying an existing format, it would be vitally important  
that that work could be shared freely.

I think that if the goal of defining Open is to equate Open with  
"always good for free and open exchange of data and tools"  and not  
Open to equate to "never good for the free and open exchange of data  
and tools" , I don't think we will ever agree on a definition. On the  
other hand I think it might be possible to get a definition of Open  
which equates to "usually good for the free and open exchange of  data  
and tools" and not Open to mean "presents problems for the free and  
open exchange of data and tools, but may be useful in certain  
circumstances".

DanZ


/********************************************
  *  Daniel Zaharevitz
  * Chief, Information Technology Branch
  * Developmental Therapeutics Program
  * National Cancer Institute
  * [email protected]
  *
  ********************************************/




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