#
#     Copyright (C) 1999-2005  Liz Potterton, Peter Briggs, Francois Remacle
#
#     This code is distributed under the terms and conditions of the
#     CCP4 licence agreement as `Part 1' (Annex 2) software.
#     A copy of the CCP4 licence can be obtained by writing to the
#     CCP4 Secretary, Daresbury Laboratory, Warrington WA4 4AD, UK.
#
#CCP4I VERSION CCP4Interface 1.4.0
#CCP4I SCRIPT DEF dyndom
#CCP4I DATE  25/07/05 16:00:00
#CCP4I USER fr45

TITLE			_title_text		""
DOMODE          _rasmol_mode    "NOUSE"

INPUT_FILES     _list_of_text   "XYZIN XYZIN2"
OUTPUT_FILES    _list_of_text   "XYZOUT XYZOUT2 FILE FILE1 INFO"

XYZIN			_pdb_file		""
DIR_XYZIN		_default_dirs   ""
XYZIN2			_pdb_file		""
DIR_XYZIN2		_default_dirs   ""
XYZOUT			_pdb_file		"ccp4idyn_pdb.pdb"
DIR_XYZOUT		_default_dirs   ""
XYZOUT2			_pdb_file		"ccp4idyn_rotvecs.pdb"
DIR_XYZOUT2		_default_dirs   ""
FILE			_txt_file		"ccp4idyn_dihedral.txt"
DIR_FILE		_default_dirs   ""
FILE1			_txt_file		"ccp4idyn_rasscript.ras"
DIR_FILE1		_default_dirs   ""
INFO			_txt_file		"ccp4idyn_info.txt"
DIR_INFO		_default_dirs   ""


IFCHAIN1        _logical        0
IFCHAIN2        _logical        0
HASRASMOL       _logical        0
CHAIN1          _chain_id       ""
CHAIN2          _chain_id       ""

SLIDEWINDOW		_positiveint		5
CLUSTERS		_positiveint		20
ITERATIONS		_positiveint		100
DOMAIN		    _positiveint		20
RATIO			_positivereal		1.0

RASARGS          _text           ""