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MCCCS Towhee (charmm2pdb)

 

 

Overview
    This section explains the charmm2pdb utility program. This program is designed to translate the polypeptide pdb files generated by Charmm into the standard pdb format to allow further processing via the pdb2towhee routine.
Compiling
    charmm2pdb is a stand alone program that may be compiled using the Utility Makefile
      cd /towheebase/Utils/
      make charmm2pdb
    This creates a charmm2pdb executable that can then be run from the command line.
      /towheebase/Utils/charmm2pdb
Features
    When you run this program from the command line it will prompt you to enter the name of the charmm pdb file that you wish to translate. It will then ask you the number of atoms in this file. Please note that you must clean up the charmm pdb file so that the first line of the file starts right in with the list of atoms. This utility will then output a file named standard.pdb which will have the peptide atoms listed in the standard pdb order instead of the default charmm order.
Return to the Utility Summary page

 


Send comments to: Marcus G. Martin
Last updated: June 10, 2009