Revised CIF syntax guidelines

Peter Murray-Rust pm286 at cam.ac.uk
Tue Apr 5 17:53:56 BST 2011


On Tue, Apr 5, 2011 at 2:04 PM, Herbert J. Bernstein <
yaya at 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.

P.



> Regards,
>   Herbert
>
>
>
>
> --
> Peter Murray-Rust
> Reader in Molecular Informatics
> Unilever Centre, Dep. Of Chemistry
> University of Cambridge
> CB2 1EW, UK
> +44-1223-763069
>
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