Quoting Angel Herráez <[EMAIL PROTECTED]>:
> Hi David
>
> Anything that can be run from the console can run from a script;
> there is no difference.
>
>> 1hru,A, 12-15, 36-50,
>
> load "1hru.pdb"; display *:A and (12-15,36-50)
>
>> 1hru,A, 12-15, 36-50 and 1hru,B, 59-72,63-80.
>
> load "1hru.pd
Time to reflect.
Whether or not you have used them, please pick what you would say are
the top 10 most significant improvements to Jmol over the past couple of
years. Comments are welcome. Please respond to me privately--not the
list. I'll report back what I hear by the end of the week.
Antia
AngelH and BobH have spent a bit of time today setting me straight on how the
product should be used to implement the following scenario:
**
1) we're in Frame1 of a portal that has two other frames in it: FrameA a
On 23 Jul 2008 at 19:56, Paul Pillot wrote:
> I may not understand correctly what your exact need is but maybe the resno
> expression does the
> trick. eg : restrict (resno>26 and resno<87)
Exactly; that is the same as
restrict 27-86
---
Hi David
Anything that can be run from the console can run from a script; there is no
difference.
> 1hru,A, 12-15, 36-50,
load "1hru.pdb"; display *:A and (12-15,36-50)
> 1hru,A, 12-15, 36-50 and 1hru,B, 59-72,63-80.
load "1hru.pdb"; display (*:A and (12-15,36-50)), (*:B and (59-72,63-80))
Angel -
Thanks for both your responses regarding how to script calls to JMol from a
separate portal frame!
I'm still not clear from your last response whether it would be possible to
script a complex load call like:
1hru,A, 12-15, 36-50,
or
1hru,A, 12-15, 36-50 and 1hru,B, 59-72,63-80.
I
I may not understand correctly what your exact need is but maybe the
resno expression does the trick. eg :
restrict (resno>26 and resno<87)
Paul
Le 23 juil. 08 à 17:02, [EMAIL PROTECTED] a écrit :
Rolf Huehne of JenaLib has told me that Jmol does not currently
have an input parameter to pas
[ Was:
Re: [Jmol-users] At request of AHerraez, discussion of feature
request moved to this list ]
sorry for the mess of postings :-)
Second part of reply, regarding the generation of images.
David Halitsky wrote:
> If (1-4) are possible as specified above, the next question is
> whether t
Bob,
we've been using Jmol for several of our web applications at the JCE and
ChemEd DL.
The latest is a collection of inorganic molecules in which the user can
display
all sorts of PChem computed data: MO's, electrostatic maps, symmetry
elements,
normal modes of vibration etc... more stuff is on
(I'm bringing into this list the discussion started in the SF feature
request site as this is more flexible. Although quite verbose, it may
be of help to other users)
> >Comment By: David Halitsky (davidhalitsky)
>
> Hi Angel -
>
> Thanks again for replying so promptly.
>
> I think I shoul
Angel -
Here's a corrected copy of my last comment in the Feature Request:
As per discussion in this thread at SAP:
https://forums.sdn.sap.com/thread.jspa?threadID=972132&tstart=0
here's what we want to do:
1) we're in Frame1 of a portal that has two other frames in it: FrameA and
FrameB.
2)
I am following this thread on the SF feature request system
El 23 Jul 2008 a las 15:02, [EMAIL PROTECTED] escribió:
> Rolf Huehne of JenaLib has told me that Jmol does not currently have
[...]
-
This SF.Net email is sponso
Rolf Huehne of JenaLib has told me that Jmol does not currently have an input
parameter to pass start./end residue numbers as well as PDB ID/chain ID (to
produce "partial" structure views.)
I have therefore submitted a new feature request (see text of request below),
but if anyone knows of a wa
Bob,
I have recently completed a Proteopedia page on Ramachandran plots,
http://proteopedia.org/wiki/index.php/User:Karl_Oberholser/Ramachandran_Plots.
When I was doing this I was not aware of the new draw ramachandran. The
acetylcholinesterase tutorial at
http://www.messiah.edu/molscilab/jtat_08
There's a bug in 11.5.49 that precludes using syntax such as $line[1] in
Jmol scripts. Nico, if you would please release 11.5.50, that would be
nice.
I haven't given an update in a long time as to what is new in Jmol.
http://chemapps.stolaf.edu/jmol/docs/examples-11/new.htm is fairly up to
dat
Dear Bob
Obviously I would value a reference to the IUCr's adoption of Jmol as a
mainstream publishing tool, fully integrated into our submission, review,
production and publishing systems. In the context of a conference on
education, it may be worth mentioning that Acta Crystallographica Section
Dear Bob,
As you may already know, Proteopedia demonstrates a new use of Jmol that is
perhaps more accessible to novice Jmol users. It's meant to be a
collaborative, 3D encyclopedia of proteins and other biomacromolecules and
generally all molecules that could benefit from more intuitive 3D
visuali
Jonathan Gutow and I are both presenting Jmol-related talks at the
Biennial Conference on Chemical Education, in Bloomington, Indiana, next
week. I think I've asked this before, but I need to ask it again.
My talk is entitled, "What's New in Jmol."
If you have utilized some of the newer capabil
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