Angel Herraez wrote:
>El 4 Oct 2007 a las 6:47, Bob Hanson escribió:
>
>
>
>>not a bug. You have to use { } in a SET command.
>>
>> set echo miEnlace {atomno=12 or atomno=13}
>>
>>The documentation on that is incorrect.
>>
>>
>
>OK. However, it does NOT accept the comma:
> set echo miEnlace {atomno=12, atomno=13}
>only if I do both braces and parentheses:
> set echo miEnlace {(atomno=12, atomno=13)}
>
>Maybe not a bad advice to say:
>set echo user-named { ( [atom-expression] ) }
> Sets echo position in three dimensions, based on the geometric
>center of the specified atoms. Both braces and parentheses are
>required.
>
>that way, nobody will fail by inserting just braces and a not-
>recognized atom epression such as the comma. Parentheses are
>customary almost anywhere with atom expressions, so however bizarre
>they are not unexpected.
>
>
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That's a good idea. I'll put that in.
--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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