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

Martin Morgan mtmorgan at fhcrc.org
Wed Feb 10 14:58:26 CET 2010

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?




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

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