Graphing Titration Curves, how to graph in R

classic Classic list List threaded Threaded
3 messages Options
Reply | Threaded
Open this post in threaded view
|

Graphing Titration Curves, how to graph in R

Amitoj S. Chopra
I am working on a script with R to calculate pKa values. I want to be able then to graph pKa values to Energy, basically two variables which will give me titration curves. It is basically a graph with two variables and help with just graphing it will be just fine. But if anyone is familiar with titration curves and R, that would be really great if they can help me out! Are there any resources out there to help with doing this, how to create a graph with pKa values. Thanks!

Amitoj
Reply | Threaded
Open this post in threaded view
|

Re: Graphing Titration Curves, how to graph in R

Jim Lemon
On 05/18/2010 06:54 AM, Amitoj S. Chopra wrote:
>
> I am working on a script with R to calculate pKa values. I want to be able
> then to graph pKa values to Energy, basically two variables which will give
> me titration curves. It is basically a graph with two variables and help
> with just graphing it will be just fine. But if anyone is familiar with
> titration curves and R, that would be really great if they can help me out!
> Are there any resources out there to help with doing this, how to create a
> graph with pKa values. Thanks!
>

Hi Amitoj,
Most of the titration curves I found could be produced with some
variation of:

plot(volume,pH,type="l",...)

there is a specialized (free) plotting package here:

www2.iq.usp.br/docente/gutz/Curtipot-.html

Jim

______________________________________________
[hidden email] mailing list
https://stat.ethz.ch/mailman/listinfo/r-help
PLEASE do read the posting guide http://www.R-project.org/posting-guide.html
and provide commented, minimal, self-contained, reproducible code.
Reply | Threaded
Open this post in threaded view
|

Re: Graphing Titration Curves, how to graph in R

Jim Lemon
Hi Amitoj,
Also look at the AquaEnv and titan packages.

Jim

______________________________________________
[hidden email] mailing list
https://stat.ethz.ch/mailman/listinfo/r-help
PLEASE do read the posting guide http://www.R-project.org/posting-guide.html
and provide commented, minimal, self-contained, reproducible code.