Show me a web page or a full script, please, Michael. It still doesn't make
sense. What version of Jmol are you using? Maybe it's old.
LOAD
by itself should not load the file from a DATA statement. Jmol doesn't save
the data string, and what LOAD by itself should be doing (perhaps a bug?)
is loading the *previous* file that was present *before* the data
statement.
On Fri, Sep 19, 2014 at 8:36 AM, Michael Marden <[email protected]>
wrote:
>
> Also, I think LOAD
>>
> by itself does not do what you think it does. This loads the last *file
>> *loaded*.* It has nothing to do with strings -- used to throw an error;
>> now it loads the last file loaded *prior to* that string being loaded.
>>
>>
> Yes, there was a fair amount of trial and error.
>
> I think I have localized the problem.
>
>
>
> The starting point was the following format found in the web documentation
>
> data "model example" |2| testing |C 1 1 1| O 2 2 2| end "model
> example";show data
>
>
>
> apparently “Load data” is the modern form, and “show data” is not needed
> for display.
>
>
>
> I replaced the data lines “C 1 1 1” with pdb lines “ATOM …”
>
> That gets stuck (no molecule shown, but the info is present), but an
> additional “Load” displays the molecule.
>
There is no such problem when I do this. PDB files load just fine using
DATA statements or LOAD DATA. The latter is useful because then you can add
all the normal parameters you can use in a normal LOAD command.
> Note that no real files were used: just string input, so “Load”
> reloaded that info.
>
>
>
> The culprit seems to be the number of atoms: |2| in the example above.
>
> This seems required if the data is the x y z format above.
>
> But must be deleted if using the pdb “ATOM ..” format.
>
> Following the last example of Angel, the pdb “strings” are loading well.
>
>
??
>
>
> On to JSmol (still getting a white screen using the combined jmol.js)
>
> Michael Marden
>
>
>
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--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
Chair, Department 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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