Re: [Jmol-users] Question to "Load Append" in Jmol - spiders's invasion

[Robert H. <ha...@st...>]

Ah, right! That's a problem. It's going to take some work to fix this,
because it requires some major rethinking on my part as to how to define a
molecule. You would think that would be trivial, but it's not. Biopolymers
are special -- their base molecule is completely defined even though the
atoms may not be connected (as, for example, with phosphorus-only or
alpha-carbon-only chains.) Hmm.... Preliminary version that can be tested is
again at http://chemapps.stolaf.edu/jmol/docs/examples-12/Jmol-12.zip



On Sun, May 8, 2011 at 3:39 PM, Paul Pillot <pau...@ac...
> wrote:

> In a previous mail, I reported that the set picking dragmolecule command
> could lead to strange visions when moving a protein bonded to an heteroatom
> compound such as an heme.
> For example this image was made with an hemoglobin model (1gzx) :
> http://librairiedemolecules.education.fr/divers/spider.png
> I had the same results with 1PAH (an iron atom linked), 5CPA (a zinc atom
> linked)
> It happens when dragging or rotating the protein, but not when dragging or
> rotating the heteroatom compound.
> -Paul
>
> Le 8 mai 2011 à 21:44, Robert Hanson a écrit :
>
> Problem was exactly as described -- once ROTATE COMPARE is used, then any
> future rotation is accompanied by an unwanted translation.
>
> See http://chemapps.stolaf.edu/jmol/docs/examples-12/Jmol-12.zip for this
> update. (Jmol 12.1.46)  It will be fixed also in the next release of 12.0
> (12.0.43), probably later this week. Let me know if you need that sooner.
>
>
> Bob
>
>
>
>
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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