Hi Angel,
thank you very much. The script work perfectly!
Andrea, this script seems to do what you want:
n1 = {*}.atomno.min;
n2 = {*}.atomno.max;
for (i=n1; i=n2; i++) {
m = s + i;
d = 2 * {atomno=i}.vanderwaals;
// print d;
draw id @m diameter @d {atomno=i};
}
spacefill off;
Tested with
Oh,oh!
On Sun, Mar 24, 2013 at 8:59 PM, Otis Rothenberger osrot...@chemagic.comwrote:
Bob,
The PDB keyword search appears to be broken at:
http://chemapps.stolaf.edu/jmol/jsmol/test2.htm
I also think 2D is broken at
http://chemapps.stolaf.edu/jmol/jsmol/jsmetest.htm
Could these be
Bob,
Thank you for helping to put JME back into Jmol. I suspect you were also the
catalyst to renew Peter's interest in this.
Did you catch my intent with the JME file note? It looks like you're loading
molfiles. This does avoid a Resolver hit, but the SMILES -- JME Resolver
connection loads
yes, that's excellent. I need to change that search so that, at least from
NCI, we go straight to the JME view, if that is what is being viewed.
On Mon, Mar 25, 2013 at 9:13 AM, Otis Rothenberger osrot...@chemagic.comwrote:
Bob,
Thank you for helping to put JME back into Jmol. I suspect you
If you are doing anything with JSmol, I suggest uploading
http://chemapps.stolaf.edu/jmol/jsmol.zip once more. It's got some changes
in the way the .js files are organized and fixes some problems I introduced
yesterday.
Most importantly, if you are not loading binary files (PNGJ, ZIP, GZ,
I can't get IE9 to run JSmol on my page. Any idea why?
http://biology.kenyon.edu/BMB/biomolecules.htm
Thanks.
Daniel
--
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Daniel
JSmol for the following seems to be loading on my iPhone, but I'm getting
the error:
Error reading the file at line 166
REMARK 2901555 X,Y,Z
TypeError: 'null' is not an object
for file http://biology.kenyon.edu/BM
type Pdb
-
Craig Martin
On Mar 25, 2013, at 3:24 PM,
Hmm, what's the PDB file? That might be an error in Jmol as well.
On Mon, Mar 25, 2013 at 5:37 PM, Craig T Martin ctmar...@chem.umass.eduwrote:
Daniel
JSmol for the following seems to be loading on my iPhone, but I'm
getting the error:
Error reading the file at line 166
REMARK 290
By the way, Daniel, I hadn't realized that you had updated the linked
pages as well. Wow! This is a great set of pages for testing the
Jmol--JSmol business. Some fancy scripts there!
I know some of the animations are sluggish, but still, what I saw seemed to
be working. Let me know if ANYTHING
Forgot to note that it loads fine on my Mac.
Just checked - it's also loading on my iPad (and user-rotates nicely! Thanks
again to Bob and colleagues!)
Actually - just rechecked on my iPhone, but this time I closed a bunch of open
pages.
Now it loads correctly (and performs well). A memory
Well, you know, since JSmol is JavaScript already, there's really no reason
to use the JSON string business. You can just get the Java object now if
you are using the HTML5 option. You will have to learn how to access that
info as a Java object, though:
x =
Wow, where have I been? This works great. Works really well for grabbing
orientation info too. Thanks, Bob.
Cheers, Mike
---
Michael Evans
Department of Chemistry
University of Illinois, Urbana-Champaign
On Mon, Mar 25, 2013 at 5:23 PM, Robert Hanson hans...@stolaf.edu wrote:
Well, you
It's a test I inadvertently left in for checking performance. Replace your
JSmol.min.js with this: http://chemapps.stolaf.edu/jmol/jsmol/JSmol.min.js
and you should be good to go -- or at least further. Interesting that that
error is not showing up with IE9 mode in IE10. But I see why: apparently
I'd still like the actual link to that page that didn't work, Craig. What
you sent before got truncated.
I think it's very important, relative to smart phones, that you need to
think about what the goal is there. It should not be: Let's get this page
working on an iPhone. It should be: How can I
same with HTML or Java, by the way.
On Mon, Mar 25, 2013 at 6:24 PM, Michael Evans evan...@illinois.edu wrote:
Wow, where have I been? This works great. Works really well for grabbing
orientation info too. Thanks, Bob.
Cheers, Mike
---
Michael Evans
Department of Chemistry
University
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