Perfect, thanks.
We're having some fun, now.
George
From: Robert Hanson [hans...@stolaf.edu]
Sent: Wednesday, December 18, 2013 10:15 PM
To: jmol-users@lists.sourceforge.net
Subject: Re: [Jmol-users] minimize constraints in a script
Generally the minimization
Greetings,
I'm trying to explore rotational steric hindrance with partial success. From
the console, this series of commands:
minimize constraint {C5} {C3} {C1} {H6} 60 // or whatever angle is
indicated
minimize
minimize energy
work as advertised. I can:
rotate branch {C3}
*Generally the minimization runs in its own thread. If it is desired to
wait until the process has completed prior to continuing, use set
useMinimizationThread false.*
So I'm guessing that without that the rotation command halts the ongoing
minimization before you notice anything.
On Wed, Dec
Bob,
Was there a minimize file suffix change in your latest version of JSmol? I'm
not having problems on the university server, but on chemagic, minimize is
broken with the same files. At first I thought it might be a corrupted file,
but that does not seem to be the issue - i.e. reloaded new
I've done nothing with minimize.
On Mon, Feb 11, 2013 at 8:53 AM, Otis Rothenberger osrot...@chemagic.comwrote:
Bob,
Was there a minimize file suffix change in your latest version of JSmol?
I'm not having problems on the university server, but on chemagic, minimize
is broken with the same
Bob,
I've got server issues. Suddenly, old files are showing up on the server. I
think there may have been some back-up server issues. I have a note in to my
provider.
Otis
--
Otis Rothenberger
o...@chemagic.com
http://chemagic.com
On Feb 11, 2013, at 10:41 AM, Robert Hanson wrote:
Dear Bob,
Does selected apply when minimize FIX ?
I mean if I preselected atoms and then I run minimize FIX selected Does it
work?
Thanks, Piero
--
*Please consider the environment before printing this e-mail.*
**
Pieremanuele Canepa
Room 104
Functional Material Group
School of Physical
good catch. Fixed for Jmol 12.0.RC24
On Mon, Jul 5, 2010 at 1:08 PM, Eric Martz ema...@microbio.umass.eduwrote:
At
http://chemapps.stolaf.edu/jmol/docs/examples-11/new8.htm
item #9 describes dynamic element definition.
After you click the link to change one hydrogen to a boron, if you
At
http://chemapps.stolaf.edu/jmol/docs/examples-11/new8.htm
item #9 describes dynamic element definition.
After you click the link to change one hydrogen to a boron, if you
click minimize (in red below Jmol), the boron moves satisfyingly.
However, after you click the link to change the born
Bob,
That fixes it.
The dragMinimize feature brings a lot of utility to the model editor -
invert configuration, create a twisted boat, tidy up a model that UFF
did not get quite right (The work arounds are gone.), quickly create a
cisoid conformation for a ring closure, just to name a few.
Bob,
Earlier today you fixed a problem with Jmol 12.0.RC13_dev. Specifically,
minimize seemed to be broken on the initial load. That fix worked.
There seems to be another problem, however. It's taken me a while to
track it down, but after an atom delete, minimize breaks. Interestingly,
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