Wow, Otis. You are doing some very interesting things here! OK, I will look
into it. Sounds like the minimization routine isn't using the correct atom
locations.
On Thu, Feb 11, 2010 at 7:36 PM, Otis Rothenberger o...@chemagic.comwrote:
Hello-
I'm using the following JavaScript to replace
Well, Otis, I'm guessing you will have a full-fledged Jmol-based molecular
editor for us soon. Is that right?
This is fixed for Jmol 11.9.29. See
http://chemapps.stolaf.edu/jmol/docs/examples-11/Jmol-11.zip
Bob
[PS: I'm not sure I would do the center selected there -- doesn't that
result in an
valency accounts for bond order. So just about every carbon will be
tetravalent, regardless of is position in a molecule -- acetylene, ethene,
ethane all have {_C}.valence = 4. But if there are only three single bonds
to a carbon, its valence will be reported as 3.
By the way, Otis -- you will
Bob and Angel-
Thanks for the help and the words of encouragement. My objective is to
create the Jmol equivalent of an old Prentice Hall Model Kit, and a
molecular builder (editor, I guess) is part of this objective.
At present, I only know how to build molecules in Jmol using univalent atoms
as
Otis wrote:
If you are after a web application, I don't think there's an
alternative, but do you know Avogadro? It's an app, lets you build 3D
molecules in real time.
The clean up at the end of my current routine is really not bad
visually. I had to do it to keep the growing molecule in
It seems that minimize does not work after set picking deleteatom has been
used
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Bob and Angel-
This is all coming together very nicely. I did not know about the delete
atom command. Using delete hydrogen; minimize addHydrogens after each atom
replacement allows a wide range of editing moves, including extending the
click/change to non-univalent atoms. The changes that you
Have a methyl radical precalculated as data. Merge it; translate/rotate it
to align it. Add the bond. A good challenge.
On Fri, Feb 12, 2010 at 1:06 PM, Otis Rothenberger o...@chemagic.comwrote:
Bob and Angel-
Thanks for the help and the words of encouragement. My objective is to
create the
hint: see http://chemapps.stolaf.edu/quaternions/jmol/helix.htm
On Fri, Feb 12, 2010 at 9:25 PM, Robert Hanson hans...@stolaf.edu wrote:
Have a methyl radical precalculated as data. Merge it; translate/rotate it
to align it. Add the bond. A good challenge.
On Fri, Feb 12, 2010 at 1:06 PM,
I thought I fixed that.
2010/2/12 Angel Herráez angel.herr...@uah.es
It seems that minimize does not work after set picking deleteatom has
been used
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SOLARIS 10 is the OS for Data Centers - provides features
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