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

[Martin Morgan]

On 02/09/2010 10:16 PM, Amitoj S. Chopra wrote:
> 
> 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
> give the return file to be a pqr file. Thanks for your help. 

Maybe bio3d::write.pqr is for you?

  http://mccammon.ucsd.edu/~bgrant/bio3d/index.html

Martin

> 
> 


-- 
Martin Morgan
Computational Biology / Fred Hutchinson Cancer Research Center
1100 Fairview Ave. N.
PO Box 19024 Seattle, WA 98109

Location: Arnold Building M1 B861
Phone: (206) 667-2793