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 ______________________________________________ R-help@r-project.org 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.
