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Re: [ddlm-group] Use of elides in strings

• To: Group finalising DDLm and associated dictionaries <ddlm-group@iucr.org>
• Subject: Re: [ddlm-group] Use of elides in strings
• From: Nick Spadaccini <nick@csse.uwa.edu.au>
• Date: Thu, 26 Nov 2009 14:20:18 +0800
• Authentication-Results: postfix;
• In-Reply-To: <20091125152051.GA15430@emerald.iucr.org>

On 25/11/09 11:20 PM, "Brian McMahon" <bm@iucr.org> wrote:

> In practical terms, the prohibition of the ' and " characters from
> non-delimited strings (which I think we have already agreed) is more
> of a nuisance, because many existing CIFs have atom labels such as
> O1', Ti" (but I am told that according to some chemical naming
> conventions use of both single and double quotes in the same label can
> occur). Some important crystallographic software still has 4-character
> limits on atom labels, so forcing the addition of opening and
> terminating quote marks will rather reduce its effectiveness!

I don't know how many labels in CIFs contain both but I suspect the number
is very small, perhaps zero. We should find out exactly which conventions
accept this, and whether they are conventions the IUCr/PDB are willing to
deal with.

Why is there are problem with the 4 character limit? Since "abcd" is still
within the 4 character limit, the " don't count. Are you saying the 4
character limit is in the label in the CIF file? In which case this software
must have always assumed an atom label was NEVER in quotes.


cheers

Nick

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