/* * File: select.h * ************************************************************************ * LEAP * * * * Copyright (c) 1992, 1995 * * Regents of the University of California * * All Rights Reserved. * * * * This software provided pursuant to a license agreement containing * * restrictions on its disclosure, duplication, and use. This software * * contains confidential and proprietary information, and may not be * * extracted or distributed, in whole or in part, for any purpose * * whatsoever, without the express written permission of the authors. * * This notice, and the associated author list, must be attached to * * all copies, or extracts, of this software. Any additional * * restrictions set forth in the license agreement also apply to this * * software. * ************************************************************************ * * * Designed by: Christian Schafmeister * * Author: Christian Schafmeister * * * * VERSION: 1.0 * * Programmers: * * Christian Schafmeister * * David Rivkin * * * * Principal Investigator: Peter A. Kollman * * * ************************************************************************ * * Description: * Select different parts of a UNIT. */ #include "minimizer.h" extern void SelectAtom(ATOM aAtom, BOOL bOn); extern BOOL bSelectRingWithAtom(UNIT uUnit, ATOM aAtom, BOOL bOn); extern void SelectResidueWithAtom(UNIT uUnit, ATOM aAtom, BOOL bOn); extern void SelectMoleculeWithAtom(UNIT uUnit, ATOM aAtom, BOOL bOn); extern void SelectEverything(UNIT uUnit, BOOL bOn); extern void SelectChainBetween(UNIT uUnit, ATOM aA, ATOM aB, BOOL bOn); extern void SelectRelaxInFramework(UNIT uUnit, MINIMIZER mMinimizer); extern BOOL bSelectChainBetween( UNIT uUnit, ATOM aA, ATOM aB, BOOL bOn ); #define SelectSetFlags(u,f) ContainerWithFlagsSetAtomFlags(u,ATOMSELECTED,f) #define SelectResetFlags(u,f)\ ContainerWithFlagsResetAtomFlags(u,ATOMSELECTED,f)