Hmm. I'm not seeing that at all. Very small, very efficient IDTF files. Send
me an example. Preferably as a PNG image of the state along with the data
file.
On Mon, Jul 26, 2010 at 6:53 AM, Robert Hanson <hans...@stolaf.edu> wrote:
> There might be optimization I could still do with ellipsoids. Let me take a
> look.
>
> On Mon, Jul 26, 2010 at 2:49 AM, Van der Lee <avder...@univ-montp2.fr>wrote:
>
>> Bob,
>>
>> I tracked down the ellipsoid problem when generating 3D-pdf files.
>> As soon as 'spacefill ADPmin 50%' is given, the generated idtf-file
>> output becomes incredibly huge - over 2Mbyte for a small-molecule
>> structure - to be compared with about 100 Kbyte before the spacefill
>> ADPmin command.
>>
>> Arie
>>
>>
>> Robert Hanson wrote the following on 25/07/2010 07:11:
>> > Looks like RC27 is a loss. Here's RC28:
>> >
>> > http://chemapps.stolaf.edu/jmol/docs/examples-11/Jmol-11.zip
>> >
>> >
>> > version=12.0.RC28
>> >
>> > # bug fix: DATA statement broken
>> > # bug fix: Jmol Model Kit broken
>> > # bug fix: PROMPT command need not require @{...}
>> > # bug fix: a = {} needs to default to ({}) (empty bitset) but also
>> > serve as basis for associative array
>> > # bug fix: alternative select @b[a] instead of @{b[a]}
>> > # bug fix: allowance for ranges for associative array elements:
>> > b["test"][1][3]
>> >
>> > --
>> > Robert M. Hanson
>> > Professor of Chemistry
>> > St. Olaf College
>> > 1520 St. Olaf Ave.
>> > Northfield, MN 55057
>> > http://www.stolaf.edu/people/hansonr
>> > phone: 507-786-3107
>> >
>> >
>> > 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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>>
>> --
>>
>> ***************************************************************************
>> A. van der Lee
>> Institut Européen des Membranes
>> CNRS - UMR 5635
>> Université de Montpellier II - Case Courrier 047
>> Place E. Bataillon
>> 34095 MONTPELLIER Cedex 5 - FRANCE
>>
>> Tel : 33 (0) 4 67 14 91 35
>> Fax : 33 (0) 4 67 14 91 19
>>
>> Website X-ray scattering facility ICG/IEM:
>> http://www.iemm.univ-montp2.fr/xrayweb/main_uk.html
>>
>> ****************************************************************************
>>
>>
>> ------------------------------------------------------------------------------
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>
>
>
> --
> Robert M. Hanson
> Professor of Chemistry
> St. Olaf College
> 1520 St. Olaf Ave.
> Northfield, MN 55057
> http://www.stolaf.edu/people/hansonr
> phone: 507-786-3107
>
>
> 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
>
--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107
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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