Re: [Jmol-users] Re: color schemes

2004-08-09 Thread Jaime Prilusky
According to Miguel:
 Q: Should the color scale be red - blue ? Since we are talking about
 'temperature' I guess that makes sense. But it seems strange (unfortunate)
 to me that both charge  temp are using red/blue.

You're correct.

In Rasmol, the ONLY difference between the charge and temperature colour 
schemes is that increasing temperature values proceed from blue to red, whereas 
increasing charge values go from red to blue.

It would be nice to be able to set the color scheme gradient, i.e:
  red-white-blue gradient, where blue is the highest value,
going through white (Rasmol goes through green).. 

Jaim
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[Jmol-users] Re: color schemes

2004-08-09 Thread Richard Ball
On [2004-Aug-08]  Miguel [EMAIL PROTECTED] wrote:

 Jaime  one of his colleagues replied off-list suggesting that we have
 both relative and absolute coloring.

 Rather than make this a 'setting' and adding more hidden state to the
 system, it seems to me that we would be better off making a new script
 command.

That'd be fine.

 By default, RasMol uses relative values.

 Q: Is there another name that we can use? color atoms absoluteTemperature

color atoms byTempFactorRelative

color atoms byTempFactorValue

??

 Q: Should the color scale be red - blue ? Since we are talking about
 'temperature' I guess that makes sense. But it seems strange (unfortunate)
 to me that both charge  temp are using red/blue.


Red is commmonly taken to mean warning -- these atoms are the most mobile
(hottest) and their positions may be unreliable whereas as blue, denotes
cold and therefor not very mobile.

Rich




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Re: [Jmol-users] Re: color schemes

2004-08-08 Thread Miguel

 On [2004-Aug-08]  Miguel [EMAIL PROTECTED] wrote:
 Q: Do you think that the colors should be assigned based upon fixed
 temperature values? Or upon relative values within the molecule?

 Could we have both?

 I do most of my work at low temperature (100K) but sometimes I have to use
 room temp., so having fixed ranges doesn't tell me much about low temp.
 structures if the ranges are suitable for room temp. structures.

Rich,

Jaime  one of his colleagues replied off-list suggesting that we have
both relative and absolute coloring.

Rather than make this a 'setting' and adding more hidden state to the
system, it seems to me that we would be better off making a new script
command.

By default, RasMol uses relative values.

Q: Is there another name that we can use? color atoms absoluteTemperature

Q: Should the color scale be red - blue ? Since we are talking about
'temperature' I guess that makes sense. But it seems strange (unfortunate)
to me that both charge  temp are using red/blue.


Miguel


 Rich



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