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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 : rdxed.c
AUTHOR(S) : Keith Trollope (kit1000@cam.ac.uk)
DATE : 2-95
PURPOSE :  Read a XED (new COSMIC) file
******/
#include "bbltyp.h"

int 
read_xed(FILE *file1, ums_type *mol)
{
  char the_line[BUFF_SIZE];
  int i, ptr;
  int line_count=1;
  char temp_type[10],mass_str[10];
  int multi_file = FALSE;
  int mass;
  float chge;
  int column;
  ums_type *new_mol;  /* necessary in case have to delete XEDS or `fields' */

  fgets(the_line,sizeof(the_line),file1);
  sscanf(the_line,"%10lf%10d%10d",&Energy,&Atoms,&Bonds);
  ShowProgress(Atoms,"Reading Atoms");
  initialize_ums(&mol);
  fgets(the_line,sizeof(the_line),file1);
  sscanf(the_line,"%s",Title);
  for(i=0;i
  
Modified: Tue Jan 21 17:00:00 1997 GMT
Page accessed 4722 times since Sat Apr 17 21:36:55 1999 GMT