#
#     Copyright (C) 1999-2004  Liz Potterton, Peter Briggs
#
#     This code is distributed under the terms and conditions of the
#     CCP4 Program Suite Licence Agreement as a CCP4 Library.
#     A copy of the CCP4 licence can be obtained by writing to the
#     CCP4 Secretary, Daresbury Laboratory, Warrington WA4 4AD, UK.
#
#CCP4i_cvs_Id $Id$
#CCP4I VERSION CCP4Interface 1.2
#CCP4I SCRIPT DEF dictionary
#CCP4I DATE  25/04/00 16:05:30
#CCP4I USER lizp
TITLE		_title_text		""
INPUT_FILES     _list_of_text           BONDLIST_FILE
OUTPUT_FILES    _list_of_text           "GEOM_FILE COORDS_FILE"
INPUT_MODE		        _libcheck_input_mode	min
IFLIBCHECK			_logical		1
CHEM_COMP_ID 			_text 			""
CHEM_COMP_NAME 			_text 			""
CHEM_COMP_TYPE			_dictionary_chem_comp_type "non-polymer"
BONDLIST_FILE			_CIF_file 		""
DIR_BONDLIST_FILE 		_default_dirs 		""
GEOM_FILE 			_lib_file 		""
DIR_GEOM_FILE 			_default_dirs 		""
COORDS_FILE			_pdb_file		""
DIR_COORDS_FILE			_default_dirs		""
TMP_COORDS			_CIF_file		""
DIR_TMP_COORDS			_default_dirs		""
PSFILE				_ps_file		""
DIR_PSFILE			_default_dirs		TEMPORARY
USE_TYPES		_logical	0
IFREFINE		_logical	1
IFHYDROGEN		_logical	1

PDBIN			_pdb_file	""
DIR_PDBIN		_default_dirs	""
MOL2IN			_mol2_file	""
DIR_MOL2IN		_default_dirs	""
SMILESIN		_smiles_file	""
DIR_SMILESIN		_default_dirs	""
FROMCOOR                _logical        0
NODIST			_logical	1
SEARCH                  _logical        0

IFREFMAC		_logical	0
NCYCLES                 _positiveint    5

SUPERPOSE		_logical	0
SUPERPOSE_PDBIN		_pdb_file	""
SUPERPOSE_RES		_text		""
SUPERPOSE_CHAIN		_text		""