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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.F is a stand alone program so on a unix machine you would compile the code using a statement
similar to
gfortran charmm2pdb.F -o charmm2pdb.x
This will create the charmm2pdb.x executable which can then be run from the command line.
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
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