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/*****
This file is part of the Babel Program
Copyright (C) 1992-96 W. Patrick Walters and Matthew T. Stahl 
All Rights Reserved 
All Rights Reserved 
All Rights Reserved 
All Rights Reserved 

For more information please contact :

babel@mercury.aichem.arizona.edu
--------------------------------------------------------------------------------

FILE : wrxed.c
AUTHOR(S) : Keith Trollope (kit1000@cam.ac.uk)
DATE : 5-95
PURPOSE : Routines to write a XED (new COSMIC) file
******/

#include "bbltyp.h"

int 
write_xed(FILE *file1, ums_type *mol)
{ 
  int i;
  char temp_type[5];
  int result;
  float zero=0.0F;
  int type_name, mass;

  fprintf(file1,"%10.3lf%10i%10i\n",Energy,Atoms,Bonds);
  fprintf(file1,"File conversion by  Babel\n");
  for(i=0;i
  
Modified: Tue Jan 21 17:00:00 1997 GMT
Page accessed 4645 times since Sat Apr 17 21:37:30 1999 GMT