/***** 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 : rdxyz.c AUTHOR(S) : Pat Walters -> modified by A. Parrill so bonds are not assigned DATE : 10-92 PURPOSE : routines to read the XYZ format used by the Xmol program from MSC MODIFIED : 10-16-93 to allow the use of multistructure files MODIFIED : 7-11-94 so that bonds will not be assigned - for use in reading feature file generated by Clew's perception routines ******/ #include "bbltyp.h" int read_feat(FILE *file1, ums_type *mol) { char the_line[BUFF_SIZE]; int i; fgets(the_line,sizeof(the_line),file1); sscanf(the_line,"%d",&Atoms); #ifdef MAC ShowProgress(Atoms,"Reading Atoms"); #endif initialize_ums(&mol); fgets(the_line,sizeof(the_line),file1); strcpy(Title, the_line); for (i = MIN_ATOM; i <= Atoms;i ++) { #ifdef MAC UpdateProgress(); #endif fgets(the_line,sizeof(the_line), file1); sscanf(the_line,"%s %lf %lf %lf", Type(i), &X(i), &Y(i), &Z(i)); clean_atom_type(Type(i)); } return(TRUE); }