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

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.



Associate Professor N. Spadaccini, PhD
School of Computer Science & Software Engineering

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