Re: [Jmol-users] Jmol applet "blinking" during scripted animations with Safari

2009-04-09 Thread Dean Johnston
Just to follow up.  You were correct, Bob - the blinking had nothing to do
with Jmol.  It was actually the CSS "tabs" on the top of the page (along
with the slider control).  A slight change in the CSS code that creates the
tabs (removing the float property) appears to have fixed the problem.

Dean

On Wed, Apr 1, 2009 at 11:34 PM, Robert Hanson  wrote:

> Dean, it appears to me to be the slider control. Moving it triggers a
> repaint of the applet, which not happening smoothly. It's possible that Jmol
> is at fault. But I'm not sure. Try creating the applet with a different
> background color. If you can avoid the white/black switch, perhaps it won't
> be so noticeable.
>
> On Wed, Apr 1, 2009 at 9:44 PM, Dean Johnston wrote:
>
>> Jmol users,
>>
>> Has anybody else noticed the Jmol applet "blinking" (flashing black) when
>> being scripted via Javascript in Safari?  I've had some users complain with
>> my website (http://symmetry.otterbein.edu/gallery), but I'm not sure if
>> it's something specific I'm doing.  It can be rather distracting since all
>> my animations are run via Javascipt.
>>
>> I see the behavior in Safari 3 and Safari 4 (beta) on OS X.  I don't see
>> it with Firefox or with any Windows browser.  I'm using OS X 10.5.6.  The
>> web site uses Jmol 11.6.  I've tested with the latest Jmol release and see
>> the same behavior.
>>
>> Thanks for any help or suggestions.
>>
>> Dean
>>
>>
>> --
>>
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>
>
> --
> Robert M. Hanson
> Professor of Chemistry
> St. Olaf College
> 1520 St. Olaf Ave.
> Northfield, MN 55057
> http://www.stolaf.edu/people/hansonr
> phone: 507-786-3107
>
>
> 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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>
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Re: [Jmol-users] Internationalisation and localisation

2009-04-09 Thread Nicolas Vervelle
Hi,

We are currently using GNU gettext tools (.po files) for translating the
applet and the application.
All .po files are under SVN,
http://jmol.svn.sourceforge.net/viewvc/jmol/trunk/Jmol/src/org/jmol/translation/
We also use Launchpad for the translations :
https://translations.launchpad.net/jmol

Nico

On Thu, Apr 9, 2009 at 3:55 PM, Gerard Meijssen
wrote:

> Hoi,
> At translatewiki.net we localise in over 300 languages. I am sure that you
> have an extensive list of translations we may be able to extend this list.
> FYI in our software we load from SVN for both Jmol and the StubManager so we
> should use whatever is set up in SVN.
> Thanks,
>Gerard
>
> http://translatewiki.net/wiki/Translating:Group_statistics
>
> 2009/4/9 Robert Hanson 
>
> Sure -- Jmol has quite an extensive set of translations. There is an
>> efficient team that monitors this, and I think at this point we have all the
>> core internationalization business in place for all phrases. Every once in a
>> while we find a message that has yet to be translated. We use a modified GT
>> system.
>>
>> On Thu, Apr 9, 2009 at 8:42 AM, Gerard Meijssen <
>> gerard.meijs...@gmail.com> wrote:
>>
>>> Hoi,
>>> I am involved in the internationalisation and localisation of MediaWiki
>>> and its extensions. I can imagine that this might make a difference for Jmol
>>> as well.
>>> Thanks,
>>>   GerardM
>>>
>>>
>>> --
>>> This SF.net email is sponsored by:
>>> High Quality Requirements in a Collaborative Environment.
>>> Download a free trial of Rational Requirements Composer Now!
>>> http://p.sf.net/sfu/www-ibm-com
>>> ___
>>> Jmol-users mailing list
>>> Jmol-users@lists.sourceforge.net
>>> https://lists.sourceforge.net/lists/listinfo/jmol-users
>>>
>>>
>>
>>
>> --
>> Robert M. Hanson
>> Professor of Chemistry
>> St. Olaf College
>> 1520 St. Olaf Ave.
>> Northfield, MN 55057
>> http://www.stolaf.edu/people/hansonr
>> phone: 507-786-3107
>>
>>
>> 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
>>
>>
>> --
>> This SF.net email is sponsored by:
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>> https://lists.sourceforge.net/lists/listinfo/jmol-users
>>
>>
>
>
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Re: [Jmol-users] Installing jmol

2009-04-09 Thread Dan Bolser
2009/4/9 Gerard Meijssen :
> Hoi,
> I am involved with creating test environments for MediaWiki and its
> extensions. As I have blogged many times about Jmol. I want to have a script
> that installs Jmol together with StubManager. I have this installed, now the
> challenge is to demonstrate that it works. Currently 3 error messages show
> up. I have done nothing yet about setting up the environment with variables
> because in essence I am not a developer myself.
>
> http://fosdem.wikiation.nl/revisions/Brion/index.php/Special:Version Jmol is
> installed here for now, this is a scratch install environment so it may not
> be there in a few days time.
>
> At the moment I am involved in a project to bring protein data in a Semantic
> MediaWiki environment. Much of the original data comes from Uniprot and the
> UMLS. I would appreciate it if someone helps me with getting Jmol in a test
> environment to work and, show me what data in Uniprot UMLS enables Jmol to
> show its stuff.

Hi Gerard,

I don't know about UMLS, but UniProt is mapped to the PDB via a
project called SIFTS

http://www.ebi.ac.uk/msd/sifts/
http://www.ebi.ac.uk/msd/sifts/ftp.html


Using SIFTS you should be able to discover the appropriate PDB file(s)
for a given UniProt entry, and  open Jmol on that file... The Jmol MW
plugin can be pointed at a PDB file on an FTP server somewhere in
response to a specific value on a page in the wiki. i.e. if your
UniProt record sets a 'has structure=x' value in a template, then you
should be able to fire up Jmol in response. However, I'm not sure how
'deep' the integration between the data in the UniProt record and the
Jmol applet could run... potentially it could do a lot of nice things.

One tool which integrates Jmol and sequence is called JalView (I work
in the same lab as the current maintainer of Jalview). This java
program allows you to click on the structure and have the residue
highlighted in an alignment (i.e. an alignment provided by SIFTS).
However, there is currently no JalView MW plugin (although there is a
JalView applet).

The most impressive Jmol MW integration site is Proteopedia, but I
don't think they do anything with UniProt (yet).


Out of interest, how hard was it to turn the Jmol applet into a MW
plugin? Would it be easy to apply the same steps to the JalView
applet? JalView already handles sequence feature / structure
integration, so it could be easier to develop that plugin than to get
Jmol working via sifts (but I'm not sure on that point).


Good luck with your testing!
Dan.

> Thanks,
>   Gerard Meijssen (GerardM in the wiki world)
>
> --
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>
>

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Re: [Jmol-users] Internationalisation and localisation

2009-04-09 Thread Gerard Meijssen
Hoi,
At translatewiki.net we localise in over 300 languages. I am sure that you
have an extensive list of translations we may be able to extend this list.
FYI in our software we load from SVN for both Jmol and the StubManager so we
should use whatever is set up in SVN.
Thanks,
   Gerard

http://translatewiki.net/wiki/Translating:Group_statistics

2009/4/9 Robert Hanson 

> Sure -- Jmol has quite an extensive set of translations. There is an
> efficient team that monitors this, and I think at this point we have all the
> core internationalization business in place for all phrases. Every once in a
> while we find a message that has yet to be translated. We use a modified GT
> system.
>
> On Thu, Apr 9, 2009 at 8:42 AM, Gerard Meijssen  > wrote:
>
>> Hoi,
>> I am involved in the internationalisation and localisation of MediaWiki
>> and its extensions. I can imagine that this might make a difference for Jmol
>> as well.
>> Thanks,
>>   GerardM
>>
>>
>> --
>> This SF.net email is sponsored by:
>> High Quality Requirements in a Collaborative Environment.
>> Download a free trial of Rational Requirements Composer Now!
>> http://p.sf.net/sfu/www-ibm-com
>> ___
>> Jmol-users mailing list
>> Jmol-users@lists.sourceforge.net
>> https://lists.sourceforge.net/lists/listinfo/jmol-users
>>
>>
>
>
> --
> Robert M. Hanson
> Professor of Chemistry
> St. Olaf College
> 1520 St. Olaf Ave.
> Northfield, MN 55057
> http://www.stolaf.edu/people/hansonr
> phone: 507-786-3107
>
>
> 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
>
>
> --
> This SF.net email is sponsored by:
> High Quality Requirements in a Collaborative Environment.
> Download a free trial of Rational Requirements Composer Now!
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> Jmol-users@lists.sourceforge.net
> https://lists.sourceforge.net/lists/listinfo/jmol-users
>
>
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Re: [Jmol-users] Internationalisation and localisation

2009-04-09 Thread Robert Hanson
One more comment -- it's important that the Wiki use the default applet
loading -- JmolApplet0.jar -- not JmolApplet.jar -- as that allows for a
much faster load and a much more efficient localization.

Bob


On Thu, Apr 9, 2009 at 8:48 AM, Robert Hanson  wrote:

> Sure -- Jmol has quite an extensive set of translations. There is an
> efficient team that monitors this, and I think at this point we have all the
> core internationalization business in place for all phrases. Every once in a
> while we find a message that has yet to be translated. We use a modified GT
> system.
>
> On Thu, Apr 9, 2009 at 8:42 AM, Gerard Meijssen  > wrote:
>
>> Hoi,
>> I am involved in the internationalisation and localisation of MediaWiki
>> and its extensions. I can imagine that this might make a difference for Jmol
>> as well.
>> Thanks,
>>   GerardM
>>
>>
>> --
>> This SF.net email is sponsored by:
>> High Quality Requirements in a Collaborative Environment.
>> Download a free trial of Rational Requirements Composer Now!
>> http://p.sf.net/sfu/www-ibm-com
>> ___
>> Jmol-users mailing list
>> Jmol-users@lists.sourceforge.net
>> https://lists.sourceforge.net/lists/listinfo/jmol-users
>>
>>
>
>
> --
> Robert M. Hanson
> Professor of Chemistry
> St. Olaf College
> 1520 St. Olaf Ave.
> Northfield, MN 55057
> http://www.stolaf.edu/people/hansonr
> phone: 507-786-3107
>
>
> 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
>



-- 
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107


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-users] Internationalisation and localisation

2009-04-09 Thread Robert Hanson
Sure -- Jmol has quite an extensive set of translations. There is an
efficient team that monitors this, and I think at this point we have all the
core internationalization business in place for all phrases. Every once in a
while we find a message that has yet to be translated. We use a modified GT
system.

On Thu, Apr 9, 2009 at 8:42 AM, Gerard Meijssen
wrote:

> Hoi,
> I am involved in the internationalisation and localisation of MediaWiki and
> its extensions. I can imagine that this might make a difference for Jmol as
> well.
> Thanks,
>   GerardM
>
>
> --
> This SF.net email is sponsored by:
> High Quality Requirements in a Collaborative Environment.
> Download a free trial of Rational Requirements Composer Now!
> http://p.sf.net/sfu/www-ibm-com
> ___
> Jmol-users mailing list
> Jmol-users@lists.sourceforge.net
> https://lists.sourceforge.net/lists/listinfo/jmol-users
>
>


-- 
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107


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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[Jmol-users] Internationalisation and localisation

2009-04-09 Thread Gerard Meijssen
Hoi,
I am involved in the internationalisation and localisation of MediaWiki and
its extensions. I can imagine that this might make a difference for Jmol as
well.
Thanks,
  GerardM
--
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Re: [Jmol-users] Release of R.E.D. Server

2009-04-09 Thread Robert Hanson
Thanks, can you please add a comment specifically to Jmol users highlighting
how Jmol can be used in relation to this server? Thanks.

Bob

-- 
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107


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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[Jmol-users] Installing jmol

2009-04-09 Thread Gerard Meijssen
Hoi,
I am involved with creating test environments for MediaWiki and its
extensions. As I have blogged many times about Jmol. I want to have a script
that installs Jmol together with StubManager. I have this installed, now the
challenge is to demonstrate that it works. Currently 3 error messages show
up. I have done nothing yet about setting up the environment with variables
because in essence I am not a developer myself.

http://fosdem.wikiation.nl/revisions/Brion/index.php/Special:Version Jmol is
installed here for now, this is a scratch install environment so it may not
be there in a few days time.

At the moment I am involved in a project to bring protein data in a Semantic
MediaWiki environment. Much of the original data comes from Uniprot and the
UMLS. I would appreciate it if someone helps me with getting Jmol in a test
environment to work and, show me what data in Uniprot UMLS enables Jmol to
show its stuff.
Thanks,
  Gerard Meijssen (GerardM in the wiki world)
--
This SF.net email is sponsored by:
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[Jmol-users] bug? Setting calculation of bonds on molecule load

2009-04-09 Thread pim schravendijk
Hi all,

I would like to disable the automatic calculation of bonds on startup. This
is needed for viewing large metal structures.

There is an option in "edit"->"properties"->"Bonds" and then "Don't Compute
Bonds".

However: It doesn't seem to do anything. I tried setting autoBonds in
~HOME/.jmol/properties to false, true, 0, 1, off, on, that at least removes
the "checked" sign in the properties menu, but calculation of bonds still
occurs.

I tried to look in the code a bit but couldn't find an easy solution. Using
jmol 11.6.20. Any hints?

-- 
Greetings, Pim
http://www.molmod.com



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http://www.molmod.com
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[Jmol-users] Release of R.E.D. Server

2009-04-09 Thread FyD
Dear All,

I am pleased to announce the release of R.E.D. Server available @  
http://q4md-forcefieldtools.org/REDS/.

R.E.D. Server provides the software and hardware (i. e. a cluster of  
computers) required for the derivation of highly effective and  
reproducible RESP and ESP atomic charge values embedded in force field  
libraries suitable for molecular dynamics simulations. R.E.D. Server  
interfaces the last stable version of the RESP ESP charge Derive  
program (R.E.D. IV April 2009 so far) developed by the q4md force  
field tools team, and provides the binaries for the last versions of  
the Gaussian, GAMESS-US, or the PC-GAMESS/Firefly program, and for the  
RESP program. More generally, the last developments in term of RESP  
and ESP charge derivation carried out by the q4md force field tools  
team will be provided through R.E.D. Server. The release of these new  
developments will be carried out from time to time, and the  
description of those last features released in R.E.D. Server is  
available at the "R.E.D. Server news" web page.

By involving multiple molecules, multiple conformations and multiple  
orientations in charge derivation and by handling specific charge  
constraints during the fitting step, R.E.D. IV allows building complex  
force field topology database or FFTopDB corresponding to the  
simultaneous generation of numerous molecular fragments (N-terminal,  
C-terminal and central amino acid fragments, 5'- or Y'-terminal, 3'-  
or X'-terminal and central nucleotide fragments as well as  
monosaccharide and metal complex fragments) in a single execution. The  
all atom or united-carbon force field library model can be  
in-differentially generated. A procedure to study the impact of the  
various charge constraints required during the fitting step of a  
molecular fragment has been implemented allowing users to compare  
charge values, and thus to validate or reject charge sets.

The use of R.E.D. Server and R.E.D. IV is described in Frequently  
Asked Questions http://q4md-forcefieldtools.org/REDS/faq.php as well  
as in a specific tutorial  
http://q4md-forcefieldtools.org/Tutorial/Tutorial-3.php.

Academic users involved in non-profit research are authorized to use  
R.E.D. Server. The use of R.E.D. Server is provided at no cost after  
signing a license agreement. The PI (principal investigator or  
Director of a laboratory) and the PU (R.E.D. Server principal user)  
have to register and sign a license agreement to be authorized to use  
R.E.D. Server.

A general public help is provided with the q4md-forcefieldtools  
mailing list. Any researcher can participate in this mailing list by  
answering and/or sending queries at q4md-...@q4md-forcefieldtools.org  
after registration at sy...@q4md-forcefieldtools.org. Archives of the  
q4md-fft mailing list are public. A private assistance is also  
available for registered users from the "Assistance" Service available  
at the R.E.D. Server Home page. We are registered in the AMBER and CCL  
mailing lists, and we will answer to the queries about the q4md force  
field tools in these mailing lists as well.

The R.E.D. III.2 tools distributed in a standalone version at  
http://q4md-forcefieldtools.org/RED/, the RESP ESP charge DDataBase  
(or R.E.DD.B. http://q4md-forcefieldtools.org/REDDB/) which allows  
freely storing and distributing RESP and ESP charges embedded in force  
field libraries in the scientific community and R.E.D. Server  
constitute to the best of our knowledge unique tools.

regards,

F.-Y. Dupradeau
  ---
http://q4md-forcefieldtools.org/FyD/




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