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Re: Revised CIF syntax guidelines

On Tue, Apr 5, 2011 at 2:04 PM, Herbert J. Bernstein <yaya@bernstein-plus-sons.com> wrote:
Dear Colleagues,

  I will refrain from commenting on James's and Brians' remarks,
except to note that the "conservation principles" from PMR are
in a document in which he goes on to say:

"The technical options for software to support CIF/STAR are:
                 - continue with CIF-specific software and commit much more
resource than we currently do
                 - re-use non-CIF tools already written in other contexts
                 - re-define what we wish to do using CIF and what using
other representations
I believe that only the last two are feasible."

We are going through this process in an effort called "Scholalrly HTML" at which BrianMcM was a really valuable participant - he and I share enough understanding that I am sure he can guide you. We are moving th complexity to the domain and relying only on basic syntactic conformance with a commitemnt for all involved to make things work. I should say that much of this was influenced positively by the CIF effort which believe is an excellent approach for most scientific disciplines which do have a heavy engineering community
I can write more on the general principles if people think it would be useful - the impoprtant thing is that the basis f decisions and their implications are understood.

Peter Murray-Rust
Reader in Molecular Informatics
Unilever Centre, Dep. Of Chemistry
University of Cambridge

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