#
#     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 0.2
#CCP4I SCRIPT DEF contact
#CCP4I DATE  25/06/97 16:05:30
#CCP4I USER pjx

TITLE		_title_text		""

INPUT_FILES     _list_of_text           XYZIN

XYZIN           _pdb_file               ""
DIR_XYZIN  	_default_dirs           ""

TASK_PRG        _task_prg               "NCONT"
TASK_MODE       _task_mode              "NCONT"
NCONT_MODE      _ncont_mode             "OFF"
CONTACT_MODE    _contact_mode           "ALL"

SYMM_MODE       _contact_symm_mode      "SPGRP"
SPACE_GROUP     _space_group            ""
SEARCH_VOL      _contact_search         "SMALL"

NSYMM           _int                    1
SYMOP,0         _text                   ""
SYMTIT,0        _text                   ""

METAL_NAME      _text                   ""
METAL_LIGAND_DIST _positivereal         2.35

MIN_DIST        _positivereal           0.0
MAX_DIST        _positivereal           5.0
ACT_SHORT       _positivereal           ""

NCONT_SOURCE    _text                   "*"
NCONT_TARGET    _text                   "*"
CHAIN_LIST      _text                   ""

SET_GEOM        _logical                0
CELL_A          _cell_length            ""
CELL_B          _cell_length            ""
CELL_C          _cell_length            ""
CELL_ALPHA      _cell_angle             ""
CELL_BETA       _cell_angle             ""
CELL_GAMMA      _cell_angle             ""
SET_SEQDIST     _logical                0
SEQDIST         _positiveint            ""

SOURCE_TYPE     _contact_type           ALL
SOURCE_NUMA1     _positiveint            ""
SOURCE_NUMA2     _positiveint            ""
SOURCE_NUMR1     _positiveint            ""
SOURCE_NUMR2     _positiveint            ""
SOURCE_CHN      _text                   ""
SOURCE_ATYPE    _contact_atype          ALL
SOURCE_ANAME    _text                   ""
SOURCE_ELEM     _text                   ""

TARGET_TYPE     _contact_type           ALL
TARGET_NUMA1     _positiveint            ""
TARGET_NUMA2     _positiveint            ""
TARGET_NUMR1     _positiveint            ""
TARGET_NUMR2     _positiveint            ""
TARGET_CHN      _text                   ""
TARGET_ATYPE    _contact_atype          ALL
TARGET_ANAME    _text                   ""
TARGET_ELEM     _text                   ""

ATYPE		_logical		0
HEXCLUDE        _logical                1
ANGLE           _logical                0

ACT_HBOND       _logical                0
HDMIN           _positiveint            "2.7"
HDMAX           _positiveint            "3.3"

ACT_IFBMONI     _logical                0
ACT_BMONI       _positivereal           "50.0"