pdbfit

NAME

     pdbfit- align two PDB objects using rotation and translation

USAGE

     pdbfit [-v] <input-file

DESCRIPTION

     pdbfit rotates one PDB file onto another.  You can either do
     all the residues in both proteins or set up groups.  You can
     also specify atom types to include and a weight.

     The -v  option  switches  to  verbose  mode  which  provides
     descriptions of residues and matches.

     The input-file data descriptions are listed below.

          1.   name of the file to rotate (file 1)

          2.   name of the target file to rotate onto (file 2)

          3.   output coordinates

          4.   atom types to use and their weights

          5.   the number of groups

     The input file must also have the following information  for
     each group in the indicated order:

          1.   length of group 1

          2.   number of the starting residue in file 1

          3.   number of the starting residue in file 2

          4.   file 1 chain identification.  "*" indicates ignore

          5.   file 2 chain identification.  "*" indicates ignore

EXAMPLES

     Example input-file

     The following is an example input-file.

          2ccy.A.pdb

          cvccp.A.pdb

          rmoncv.pdb
          CA 1.0

          (blank line marks end of atom type list)

          1

          27

          2

          2

          *

          *

VERSION

     Release 3.2 of XtalView

SEE ALSO

     xtalview(1)