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Re: Revised CIF syntax guidelines
- To: "Discussion list of the IUCr Committee for the Maintenance of the CIFStandard (COMCIFS)" <comcifs@iucr.org>
- Subject: Re: Revised CIF syntax guidelines
- From: Peter Murray-Rust <pm286@cam.ac.uk>
- Date: Tue, 5 Apr 2011 17:53:56 +0100
- In-Reply-To: <a06240800c9c0c2bd2e12@192.168.2.102>
- References: <AANLkTi=UQkE=v99gt3vyzZaXQ5A-oQ1=F8L-ETC_jSb0@mail.gmail.com><20110404092244.GA8512@emerald.iucr.org><BANLkTim9E0o9dNHeoN8zFrg3vhfw_q8q8Q@mail.gmail.com><a06240800c9c0c2bd2e12@192.168.2.102>
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.
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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- References:
- Revised CIF syntax guidelines (James Hester)
- Re: Revised CIF syntax guidelines (Brian McMahon)
- Re: Revised CIF syntax guidelines (James Hester)
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