Re: [Jmol-users] MEP isosurface coloring

2008-11-11 Thread Frieda Reichsman
The charge range is beginning to sound familiar. I think I remember  
altering this years ago. The relative values of the color range and  
charge range are probably what will do the trick. Still have not found  
the command parameter but will be experimenting with it. Thanks.

On Nov 11, 2008, at 4:31 AM, Angel Herraez wrote:

> Frieda, I'd say that you can set a custom range for charges, then the
> color range effectively used will be widened.
> (I don't remember the syntax right now.)
>
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Re: [Jmol-users] MEP isosurface coloring

2008-11-11 Thread Frieda Reichsman
Altering the values in the color range parameter of the isosurface  
command makes the red and blue patches dimmer or brighter. The white  
areas increase to some extent because of the diminishing intensity of  
the red and blue areas, but the colors get very faint by the time  
there is any appreciable white area.

Perhaps there is another parameter that I am not remembering. The  
documentation is still down; once it is back in business I will look  
for another parameter for charge range as opposed to color range.


On Nov 11, 2008, at 4:31 AM, Angel Herraez wrote:

> Frieda, I'd say that you can set a custom range for charges, then the
> color range effectively used will be widened.
> (I don't remember the syntax right now.)
>
>
> -
> This SF.Net email is sponsored by the Moblin Your Move Developer's  
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Re: [Jmol-users] MEP isosurface coloring

2008-11-11 Thread Angel Herraez
Frieda, I'd say that you can set a custom range for charges, then the 
color range effectively used will be widened.
(I don't remember the syntax right now.)


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Re: [Jmol-users] MEP isosurface coloring

2008-11-10 Thread Robert Hanson
Are you sure you're just not setting the range to your liking?

On Mon, Nov 10, 2008 at 6:21 PM, Frieda Reichsman <[EMAIL PROTECTED]> wrote:

> Any chance this would be a realistic feature request? For secondary school
> teaching purposes we use the simpler, bwr color scheme that students are
> already familiar with. It can be difficult for some students to have to
> shift gears to another scheme. And showing areas that are hydrophobic is
> critical, of course.
>
>
> On Nov 10, 2008, at 7:09 PM, Robert Hanson wrote:
>
> no, I don't think so.
>
> On Mon, Nov 10, 2008 at 5:46 PM, Frieda Reichsman <[EMAIL PROTECTED]>wrote:
>
>> Hi Bob,
>>
>> Is there a mechanism, with the rwb or bwr colorshemes, for widening
>> the white areas between the red and blue? Many published EP surfaces
>> show large neutral regions; I have not figured out how to get Jmol to
>> do this in rwb. These regions are green in the more extended color set.
>>
>> Thanks,
>> Frieda
>>
>>
>> -
>>
>> Frieda Reichsman, PhD
>> Senior Research Scientist
>> The Concord Consortium
>> 25 Love Lane
>> Concord, MA 01742
>>
>>
>>
>>
>>
>> -
>> This SF.Net email is sponsored by the Moblin Your Move Developer's
>> challenge
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>> prizes
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>> world
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>> ___
>> 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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-- 
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] MEP isosurface coloring

2008-11-10 Thread Frieda Reichsman
Any chance this would be a realistic feature request? For secondary  
school teaching purposes we use the simpler, bwr color scheme that  
students are already familiar with. It can be difficult for some  
students to have to shift gears to another scheme. And showing areas  
that are hydrophobic is critical, of course.



On Nov 10, 2008, at 7:09 PM, Robert Hanson wrote:


no, I don't think so.

On Mon, Nov 10, 2008 at 5:46 PM, Frieda Reichsman  
<[EMAIL PROTECTED]> wrote:

Hi Bob,

Is there a mechanism, with the rwb or bwr colorshemes, for widening
the white areas between the red and blue? Many published EP surfaces
show large neutral regions; I have not figured out how to get Jmol to
do this in rwb. These regions are green in the more extended color  
set.


Thanks,
Frieda


-

Frieda Reichsman, PhD
Senior Research Scientist
The Concord Consortium
25 Love Lane
Concord, MA 01742





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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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challenge
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Re: [Jmol-users] MEP isosurface coloring

2008-11-10 Thread Robert Hanson
no, I don't think so.

On Mon, Nov 10, 2008 at 5:46 PM, Frieda Reichsman <[EMAIL PROTECTED]> wrote:

> Hi Bob,
>
> Is there a mechanism, with the rwb or bwr colorshemes, for widening
> the white areas between the red and blue? Many published EP surfaces
> show large neutral regions; I have not figured out how to get Jmol to
> do this in rwb. These regions are green in the more extended color set.
>
> Thanks,
> Frieda
>
>
> -
>
> Frieda Reichsman, PhD
> Senior Research Scientist
> The Concord Consortium
> 25 Love Lane
> Concord, MA 01742
>
>
>
>
>
> -
> This SF.Net email is sponsored by the Moblin Your Move Developer's
> challenge
> Build the coolest Linux based applications with Moblin SDK & win great
> prizes
> Grand prize is a trip for two to an Open Source event anywhere in the world
> http://moblin-contest.org/redirect.php?banner_id=100&url=/
> ___
> 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] MEP isosurface coloring

2008-11-10 Thread Frieda Reichsman
Hi Bob,

Is there a mechanism, with the rwb or bwr colorshemes, for widening  
the white areas between the red and blue? Many published EP surfaces  
show large neutral regions; I have not figured out how to get Jmol to  
do this in rwb. These regions are green in the more extended color set.

Thanks,
Frieda


-

Frieda Reichsman, PhD
Senior Research Scientist
The Concord Consortium
25 Love Lane
Concord, MA 01742





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