HGEN (CCP4: Supported Program)

NAME

   hgen - generate hydrogen atom positions for proteins

SYNOPSIS

   hgen xyzin input.brk xyzout output.brk
   [Keyworded input]

DESCRIPTION

   Generates  hydrogen  atoms for a protein coordinate file with
   standard  geometry, using a bond length of 1.0 Å. The program
   operates on Brookhaven files. There is a library specifying which
   atoms in a particular residue type have H atoms attached to them
   embedded in the code.

KEYWORDED INPUT

   There  is only one line of input which determines whether the
   generated hydrogens are merged with other atoms or whether they are
   put in a separate file.

  HYDROGENS SEPARATE

   hydrogens in separate file;

  HYDROGENS APPEND

   hydrogens and protein merged.

   By default (e.g. for immediate end-of-file) the hydrogens are
   appended.

FILES

   XYZIN
          Input coordinates.
   XYZOUT
          Output coordinates - either hydrogens alone, or merged with
          protein according to the input line.

EXAMPLES

   Unix example script found in $CEXAM/unix/runnable/

     hgen.exam

AUTHOR

   Simon Phillips. Rewritten by Z. Dauter, modified by Victor S.
   Lamzin.