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

2010-02-10 Thread 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) in

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

2010-02-10 Thread Barry Rowlingson
On Wed, Feb 10, 2010 at 6:16 AM, 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

[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 give

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

2010-02-09 Thread Dieter Menne
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