This is fixed. "10.9.80" (yeiks!) for now only at
http://www.stolaf.edu/academics/chemapps/jmol/docs/examples-11 is available.
Bob
Bob Hanson wrote:
> I found a bug in generating atoms via symmetry that is generating two
> atoms in the same location. I will track it down this morning. Alan,
> it shows up with your y1237.cif. If you do:
>
> load y1237.cif
> getproperty extractmodel "atomno=10 or connected(atomno=10)"
>
> you get too many oxygen atoms.
>
> This leads to incorrect polyhedra production.
> \
> Bob
>
>
>
>
> Alan Hewat wrote:
>
>> Up to 10.9.75 I loaded multiple cells eg {3 3 3} in order to
>> construct polyhedra at cell edges, and then did a restrict cell={ 2 2
>> 2 } to hide all except the atoms in the central cell. I found that if
>> I had multiple frames in my CIF I needed to step through them eg as
>> follows before drawing the polyhedra etc.
>> 'frame 1;unitcell {1 1 1};frame 2;unitcell {1 1 1};frame 3;unitcell
>> {1 1 1};frame 4;unitcell {1 1 1};'+
>>
>> This worked up to 10.9.75 eg:
>> http://icsd.ill.fr/icsd/cifdraw.php?filen=help/y12367.cif&id[]=0
>> but the above multiple frame line hangs 10.9.79. Since I didn't
>> understand why I had to step through the frames in the first place,
>> it is perhaps not surprising that this no longer works for me :-) But
>> if I leave it out, I only have polyhedra for the 1st frame.
>>
>> Otherwise, I like the idea of simplifying the menus depending on what
>> the user seems to be doing, but am not entirely convinced about the
>> dynamic menus, and having different menus depending on whether one
>> right-clicks in the background or left clicks on the Jmol logo. For
>> example, if I click on the logo and ask to view the CIF, not only
>> does this no longer work :-) but afterwards I only have access to the
>> models menu from the logo. I have to right-click on the background to
>> obtain access to other menus, even the console or the Style-Atoms
>> menu (and why so many choices of van der Waals radii and no ionic
>> radii?).
>>
>> The great thing about Jmol is that so much is possible, and that it
>> can be tailored for different audiences by constructing one's own
>> scripts and menus. (When I work out how to use multiple CIF frames
>> correctly).
>>
>> Alan.
>> _____________________________________________________________
>> Dr Alan Hewat, ILL Grenoble, FRANCE<[EMAIL PROTECTED]>fax+33.476.20.76.48
>> +33.476.20.72.13 (.26 Mme Guillermet)
>> http://www.ill.fr/dif/people/hewat/
>> _____________________________________________________________
>>
>>
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>
>
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