/***** 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 : printbad.c AUTHOR(S) : Pat Walters DATE : 9-2-94 PURPOSE : print out bond distances for atoms which execeed max valence ******/ #include "bbltyp.h" void print_bad_connections(ums_type *mol, int atom) { int i; double dist; int conn; for (i = 0; i < Valence(atom); i++) { conn = Connection(atom,i); dist = distance(Point(atom),Point(conn)); if (mol->residues != NULL) fprintf(stderr,"%4d - %4d %4s in residue %3s%3d %4s in residue %3s%3d distance = %9.3f\n", atom,conn,AtmId(atom),ResName(atom),ResNum(atom), AtmId(conn),ResName(conn),ResNum(conn),dist); else fprintf(stderr,"%4d - %4d %4s %4s distance = %9.3f\n", atom,conn,Type(atom),Type(conn),dist); } }