apparently is the 2nd option a Jmol bug because by typing :
print {1.1}.length = 10
print {1.2}.length = 20
print {1.1 and 1.2}.length = 10
I sent you the file too.
Thanks, Piero
Bob, I sent the file to you
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Excellent - lots of beautiful examples showing why Jmol is a killer app!
Dean
On Thu, Sep 2, 2010 at 3:21 PM, Robert Hanson hans...@stolaf.edu wrote:
*This just in!
*
*J. Appl. Cryst.* (2010). *43* [
doi:10.1107/S0021889810030256http://dx.doi.org/10.1107/S0021889810030256]
*Jmol* - a
Piero wrote:
2) I cannot find in the script guide how to get the number of atoms
of a
certain frame. For instance I have a MgO cell with 4Mg and 4O atoms
how
can I know that the structure has 4 Mg and 4O?
Maybe
{1.1 and _O}.length
or is it .size ?
Hi Bob,
I set up a web page to clarify what I mean:
http://weirdbyte.de/jmol-test/html/nav.html
There are three applet, showing a protein in the same orientation. The first
applet shows the protein in the normal - non navigation - mode and has some
atom obscuring most of the rest. The second
I found it. THIRD possibility: It was file reading bug that only affected
the CrystalReader, but not a CrystalReader bug.
Bob
2010/9/3 Angel Herráez angel.herr...@uah.es
Piero wrote:
2) I cannot find in the script guide how to get the number of atoms
of a
certain frame. For instance I
It seems to me that is what the standard SLAB command is for. Right?
If you use
slab on
slab 60 # or whatever
set slabByAtom
it might be very close to what you are talking about.
Bob
On Fri, Sep 3, 2010 at 9:36 AM, Alexander Rose
alexander.r...@weirdbyte.dewrote:
Hi Bob,
I set up a web
Ho, ho, HO! No kidding! Wow... 3D to 2D! I suppose you want this as a
built-in Jmol option now...
On Thu, Sep 2, 2010 at 9:24 PM, Otis Rothenberger osrot...@chemagic.comwrote:
The NIH Resolver will generate a gif image of the Lewis line structure
of a submitted SMILES. I ignored this feature
got it -- a SMILES generator bug.
On Thu, Sep 2, 2010 at 2:50 PM, Otis Rothenberger osrot...@chemagic.comwrote:
Bob,
The ring is flat, but it has two sp3 carbons (CH2's). To make sure this was
not associated with my post model change processing, I reproduced the effect
by building benzene
When you have multiple layers of translucent objects, it is possible to get
some odd effects.
On Thu, Sep 2, 2010 at 8:01 AM, Pshemak Maslak p...@chem.psu.edu wrote:
A case of odd outcome.
I have run the following in 12.0.11 and 12.1.9 (and compared to 12.0,8
which I happen to have on my
Bob,
Yeah, it's amazing how fast this is done. It's not a database look-up.
It's being done on the fly from SMILES.
But here's the big thing. The Resolver molfile has stereo information. I
checked this out because on the Web site their embedded JME will
translate the word taxol (or any
Oh my, it's this simple!
http://cactus.nci.nih.gov/chemical/structure/CCC%28C%29CC/file?format=jme
OR
http://cactus.nci.nih.gov/chemical/structure/CCC(C)CC/file?format=jme
Otis
Otis Rothenberger
chemagic.com
On 9/3/2010 11:26 AM, Otis Rothenberger wrote:
Bob,
Yeah, it's amazing how fast
Hi,
- Ursprüngliche Mail -
Von: Robert Hanson hans...@stolaf.edu
An: jmol-users@lists.sourceforge.net
Gesendet: Freitag, 3. September 2010 16:46:50
Betreff: Re: [Jmol-users] camera dependent slab setting
It seems to me that is what the standard SLAB command is for. Right?
In a
On 9/3/2010 11:06 AM, Robert Hanson wrote:
When you have multiple layers of translucent objects, it is possible
to get some odd effects.
I am not surprised by that, but by the fact that they are different in
the three Jmol versions.
PM
PS. Congrats on your crystallography paper. I have to
So I think we could set some slab option to be dependent upon zoom. For
example:
slab 5.0
a decimal here would indicate that at whatever zoom level you are at, the
slab would be set to be wherever the visual range is 5.0 Angstroms.
Something like that?
On Fri, Sep 3, 2010 at 11:10 AM,
This is an outgrowth of the gif image note, but its a new subject. So
new chain...
Here's a true Jmol depict - i.e. Jmol model kit mode 3D -- JME stereo 2D
http://chemagic.com/web_molecules/script_page_large.aspx
Click The Molecular Editor link; Click the Draw link. Click the Depict link;
ok Thanks a lot huh!
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Pieremanuele Canepa
Room 104
Functional Material Group
School of Physical Sciences, Ingram Building,
University of Kent, Canterbury, Kent,
CT2 7NH
United Kingdom
e-mail: pc...@kent.ac.uk
mobile: +44 (0)
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