/* * File: amber.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: * Read AMBER prep and parameter database files into * UNITs and PARMSETs. * * This module was written to maintain compatability with * AMBER 3a. * */ #ifndef AMBER_H #define AMBER_H #ifndef DICTIONARY_H #include "dictionary.h" #endif #define AMBER_WILD_CARD "X" /* amber.c */ extern void AmberAddAtomTypes( LIST lEntries ); extern DICTIONARY dAmberReadPrepFile( char *sFilename ); extern PARMSET psAmberReadParmSet( FILE *fIn, char *sFilename ); extern int iAtomTypeHybridization( char *sType ); #endif