/***** 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 : wrmimic.c AUTHOR(S) : Pat Walters DATE : 5-10-93 PURPOSE : Routines to write a MacMimic file ******/ #include "bbltyp.h" int write_mac_mimic(FILE *file1, ums_type *mol) { int i; char type_name[5]; fprintf(file1,"*Molecule\n"); fprintf(file1,"%5d%5d \n",Atoms,Bonds); fprintf(file1,"*Model\nS\n*Display\nFFF\n"); fprintf(file1,"*Position\n 200 200\n"); fprintf(file1,"*Atom\n"); for(i = 1;i <= Atoms; i++) { get_output_type(i,"XYZ",Type(i),type_name,all_caps); fprintf(file1,"%-4d %-3s %8.4f %8.4f %8.4f %d 0 \n", i, type_name, X(i), Y(i), Z(i), Valence(i)); } fprintf(file1,"*Bond\n"); for(i = 0;i < Bonds; i++) { fprintf(file1,"%5d%5d\n", Start(i), End(i)); } fprintf(file1,"*End\n"); return(TRUE); }