Re: [Jmol-developers] Jmol attends Molecular Modelling: Tools, GUIs and Visualisation

2008-03-09 Thread Angel Herráez
Thanks to all who have sent suggestions for my talk.
It's great to have such help!



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Re: [Jmol-developers] Jmol attends Molecular Modelling: Tools, GUIs and Visualisation

2008-03-07 Thread Angel Herraez
Hi all

My talk is scheduled for Wednesday morning. You can have a peek at
http://biomodel.uah.es/personal/2008/UK/

Hints welcome








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Re: [Jmol-developers] Jmol attends Molecular Modelling: Tools, GUIs and Visualisation

2008-03-07 Thread Bob Hanson
Wow - very nice, Angel!

Additional capabilities you may want to mention:

-- atoms can be added  (DATA append)
-- save/restore of exact state of the model
-- export also to Maya and VRML
-- export is completely user-customizable, based on a Java interface: 
Drop in a new exporter java module you write, and you are all set. No 
further modification of Jmol is necessary.

-- navigation mode allows molecular fly-through controlled by user or 
by guide-wire
-- support for spherical and cartesian D and F orbital basis sets
-- user-settable charges for MEP calculation
-- user-settable radii for isosurface calculation and spacefill

Bob



Angel Herraez wrote:

Hi all

My talk is scheduled for Wednesday morning. You can have a peek at
http://biomodel.uah.es/personal/2008/UK/

Hints welcome








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-- 
Robert M. Hanson
Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr


If nature does not answer first what we want,
it is better to take what answer we get. 

-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900



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Re: [Jmol-developers] Jmol attends Molecular Modelling: Tools, GUIs and Visualisation

2008-03-07 Thread Egon Willighagen
On Fri, Mar 7, 2008 at 6:32 PM, Bob Hanson [EMAIL PROTECTED] wrote:
 Wow - very nice, Angel!

Indeed, very nice!

  Additional capabilities you may want to mention:

Some minor points:

You could also point out this 'poster' Miguel Howard and I had at some
electronic conference:

http://precedings.nature.com/search?scope=allquery=Jmol
DOI:10.1038/npre.2007.50.1

And Bioclipse is with a lower case C...

Cheers!

Egon

-- 

http://chem-bla-ics.blogspot.com/

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Re: [Jmol-developers] Jmol attends Molecular Modelling: Tools, GUIs and Visualisation

2008-03-04 Thread Nicolas Vervelle
Great news !!

Angel Herraez a écrit :
 Dear developers:

 I'd like to let you know that next week I will be participating --as 
 a Jmol representative ;-) -- in 
 Molecular Modelling: Tools, GUIs and Visualisation
 a CCP1 meeting looking at graphical interfaces, 
 visualisation and general tools for molecular modelling in general, 
 but with the focus towards electronic structure,
 to be held on 11th-13th of March at the Runcorn Holiday Inn in 
 Cheshire (UK).

 I've been invited by the organizer, Jens Thomas (STFC Daresbury 
 Laboratory) since other developers could not attend.

 I will try to do my best to communicate there the growing 
 possibilities of Jmol. And I'll certainly try to act as ambassador 
 and convey the merits of all you Jmol developers.

 Bob, I think I'm borrowing some of the images from your presentations 
 at ConfChem2006 and at Collogne2006.

 Info about the meeting is at
 http://www.ccp1.ac.uk/chemtoolsmeet/
 http://ccpforge.cse.rl.ac.uk/mailman/listinfo/chemtools-meet

 Regards,

 Angel


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Re: [Jmol-developers] Jmol attends Molecular Modelling: Tools, GUIs and Visualisation

2008-03-04 Thread Egon Willighagen
On Tue, Mar 4, 2008 at 8:32 PM, Bob Hanson [EMAIL PROTECTED] wrote:
  I'd like to let you know that next week I will be participating --as
  a Jmol representative ;-) --

I am really happy that you found time to do it.

Have fun!

Egon

-- 

http://chem-bla-ics.blogspot.com/

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Re: [Jmol-developers] Jmol attends Molecular Modelling: Tools, GUIs and Visualisation

2008-03-04 Thread Miguel
 I'd like to let you know that next week I will be participating --as
 a Jmol representative ;-) -- in
 Molecular Modelling: Tools, GUIs and Visualisation

!Muy bien Angel!


Miguel


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