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On Friday 11 June 2004 14:35, Miguel wrote:
> My question relates to the use of atomic symbols as predefined sets.
What's a set again? That for the scripting part, isn't it?
As an select c*, or so?
> RasMol/Chime defines the atomic symbols as predefined sets.
What does that mean?
> Jmol currently does not.
>
> Over the past year I have received feedback from two people saying that
> this should be supported.
>
> The reason that I did not define them is because I personally believe that
> there is too much ambiguity within the scripting language.
>
> According to the rasmol doc,
>
> c means carbon
> c means cystine
> c means cytidine
>
> I am not sure, but I believe that the interpretation can change depending
> upon what molecule is loaded.
Well... it depends on the context... cysteine is an amino acid, not an
element... so, if one selects amino acids, c means cysteine...
> Oh, and of course one could choose to:
>
> define c {something-else}
>
> All of this made me sick. Therefore, I decided not to implement the
> element symbols. I feel like it eliminates some potential problems.
What does it practically that you do not implement the element symbols?
> However, I am willing to reconsider. If you want to use Al instead of
> aluminum or aluminium, now is your chance to ask for it.
Depending on when I can use it, Yes, please keep it in...
Egon
- --
[EMAIL PROTECTED]
PhD on Molecular Representation in Chemometrics
Nijmegen University
http://www.cac.sci.kun.nl/people/egonw/
GPG: 1024D/D6336BA6
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