#
#  Written by A. Schuettelkopf, 2008
#
#CCP4I VERSION CCP4Interface 1.2.7
#CCP4I SCRIPT DEF prodrg

TITLE		_title_text		""
INPUT_FILES     _list_of_text           XYZIN
OUTPUT_FILES    _list_of_text           "LIBOUT XYZOUT MOLOUT"
XYZIN           _prdrg_file             ""
DIR_XYZIN       _default_dirs           ""
LIBOUT          _lib_file               ""
DIR_LIBOUT      _default_dirs           ""
XYZOUT          _pdb_file               ""
DIR_XYZOUT      _default_dirs           ""
MOLOUT          _mol_file               ""
DIR_MOLOUT      _default_dirs           ""

EMMODE          _prodrg_emchoice        BUILD
COORDOUT        _prodrg_coordchoice     PDB
PROTONATE       _prodrg_protchoice      ALL