[R] R pdb, viewing in chimera using Bio3d package

2010-05-27 Thread Amitoj S. Chopra
Is there any way with R to open with chimera and view a pdb file. For example, turn on R, load a pdb into R using bio3d function, view that pdb through chimera in R. So open chimera through R and load up that pdb? Thanks! -- View this message in context:

[R] Displaying a table using traitr

2010-05-24 Thread Amitoj S. Chopra
I am trying to display a table with traitr. I am using the function tableitem apart of traitr. I am not sure how to enter it. I enter my data as a table in R (as list2) but im not sure how to use that function tableitem(list2) but that doesnt seem to work. I would rather not edit it just display

[R] R GUI using traitr to display multiple data

2010-05-20 Thread Amitoj S. Chopra
Hello to everyone. I am constructing a GUI table using traitr with multiple buttons that respond to different codes. Such as I am doing titration of a protein, and I want the script to run and then the end to be displayed in a window. The window will have a button for data and graphs, where when

[R] GUI commands to call for a protein from protein data bank

2010-05-18 Thread Amitoj S. Chopra
What I am trying to do is use GUI function, traitr, and to call for a pdb file and save it and then display it. I want to call for it by taking it from the user and then displaying it on the screen. I am having problems with that. The line pdb - read.pdb(ProteinCode) where proteincode should be

Re: [R] GUI commands to call for a protein from protein data bank

2010-05-18 Thread Amitoj S. Chopra
wrote: Amitoj S. Chopra amitojc at gmail.com writes: What I am trying to do is use GUI function, traitr, and to call for a pdb file and save it and then display it. I want to call for it by taking it from the user and then displaying it on the screen. I am having problems

Re: [R] GUI commands to call for a protein from protein data bank

2010-05-18 Thread Amitoj S. Chopra
S. Chopra amitojc at gmail.com writes: What I am trying to do is use GUI function, traitr, and to call for a pdb file and save it and then display it. I want to call for it by taking it from the user and then displaying it on the screen. I am having problems with that. The line pdb

[R] Graphing Titration Curves, how to graph in R

2010-05-17 Thread 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

[R] Traitr

2010-04-27 Thread Amitoj S. Chopra
Does anyone know how to use Traitr, or a guide to learn Traitr package for R? I am trying to learn right now, and trying to get a graphical interface (GUI) for my script that I developed. Thanks, I am pretty new at R, so more basic, the better. Thank you! Amitoj -- View this message in context:

Re: [R] R GUI

2010-04-27 Thread Amitoj S. Chopra
Hey do you know a good guide for traitr to learn from? Is this okay? Ive been trying it but it is difficult for me to learn. Thanks. Amitoj http://cran.r-project.org/web/packages/traitr/vignettes/traitr.pdf -- View this message in context:

[R] R GUI

2010-04-12 Thread Amitoj S. Chopra
I am really new with R Graphical user interfacefunctions. I am developing a software package to calculate pKa (biochemistry) but I want to make it look aesthetically pleasing and make it user friendly. I have heard that R has some GUI (Graphical user interface) and you can do some really cool

[R] Converting pdb to pqr

2010-02-10 Thread Amitoj S. Chopra
There are websites using python to convert a pdb to a pqr. I was wondering if there is a simpler way to do it. We have a protein in pdb format, and want to convert that to a pqr file so that the program apbs can open it. We want to accomplish this conversion in R. Thank you for your help. --

[R] Using R to format a file using a server (PDB to PQR file)

2010-02-10 Thread Amitoj S. Chopra
I am trying to write a program that uses R and takes a pdb file, and converts it to a pqr file. This task is simple generally, using the website, http://pdb2pqr-1.wustl.edu/pdb2pqr/. How do you use R to input a pdb file (that is on hand) into the upload pdb file input, and run the website and

[R] Using system to call a program

2010-02-10 Thread Amitoj S. Chopra
How would you use the system function to call to use a certain program. i am a windows user for example i want to call python using R, by using system. python is located on my local drive, c:/python how do you use the system function -- View this message in context: