[provenance-challenge] Re: Progress On the Crystallography Workflow

[Marta Mattoso]

Dear Carl and Simon,

We have started working with the Crystallography workflow and we are
facing a few difficulties. Here they follow (attached) according to
the workflow stages represented at the Table of the wiki.
I am having the collaboration of a bioinformatics’ researcher, but not
specialized on crystal: Kary Ocana.
We executed the programs on Windows (which may be the reason of the
errors). We also intend to run them on Linux. However, it seems that
some informations are missing.
To invoke programs from the SWfMS we often need a command line interface.

We were not sure where to put it at the wiki, so we have attached our
feedback as a pdf.

best regards,
Marta and Kary



On Tue, Aug 31, 2010 at 3:18 PM, Barton, Carl <carl.barton at kcl.ac.uk> wrote:
> Hello All,
>
> I am emailing to detail the progress on the crystallography workflow for the 4th provenance challenge.
>
> I have prepared a detailed account of the workflow which includes a full set of sample data and executables
> to help recreate the account.
>
> There is also a mapping from the abstract scenario to the crystallography workflow
> and controlled vocabulary to help identification of common concepts and types.
>
> This wiki page is currently a draft version.
> In continuing the development of this workflow
> we will be guided by the needs of
> the provenance challenge as a whole.
> So any feedback or suggestions are welcome and encouraged.
>
> The page can be found at http://twiki.ipaw.info/bin/view/Challenge/Crystallography
>
> Carl and Simon
>
>
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