            *************************************************
              Powder Diffraction Structure Analysis Program
                                  DDM
                              Version 1.7
                              (05.05.2009)
            *************************************************

Update/Download:  http://www.icct.ru/eng/content/persons/Sol_LA/ddm.html
                  http://www.geocities.com/l_solovyov/ddm.html

The program may be run from either MS-DOS/Windows prompt or from the 
Programmer's File Editor shell (see below).

For each particular structural task it is better to create a separate
folder within the main folder of DDM where all the input and output files
will be stored.

To run the program, choose the respective folder with the input files
and enter the command line from the MS-DOS prompt in the following format:

   ddm.exe [Parameters file]

   EXAMPLE: ddm.exe params.ddm

Alternatively, a batch file containing the command line may be run from
either Wndows or MS-DOS. Examples of the input and batch files are given
in the folders EXAMPLE1, EXAMPLE2, ..., SIZE, QPA, TEMPLATE.

 NOTE: the Parameters file is normally updated every time you run the
program [see parameter NXT (Line 4) in DDMguide]. At the first
stages of refinement it is wise to save a copy of this file with a
different name.

The program outputs 'ddm_prf.prf' file with the observed and calculated
patterns, which can be viewed by the popular program WinPLOTR.
WinPLOTR is freely downloadable from:
  http://www-llb.cea.fr/fullweb/winplotr/winplotr.htm


    **********************************************************
     
          Creating Programmer's File Editor shell for DDM

    **********************************************************

The current program package includes a configuration for the
Programmer's File Editor (PFE) which facilitates integrating DDM with graphical
utilities such as WinPLOTR and a structure viewer within the PFE shell.
(PFE is freely available from http://www.lancs.ac.uk/people/steveb/cpaap/pfe/) 

To setup PFE configuration for DDM:

* Run PFE32.EXE from PFEditor folder

* Go to menu Options -> Preferences -> Configuration Sets

* Create New configuration named 'DDM'

* Choose it within the 'Existing configuration sets' field and
  select 'Import From' to import DDM configuration from DDM.rcf file
  contained in the main DDM folder

* Exit PFE

Now you may load PFE with DDM configuration from the batch file DDM-PFE.bat.

PFE allows one to open and edit DDM input files and execute DDM program,
WinPLOTR and a structure viewer from 'Execute' menu or by clicking
shortcut keys (F12, Ctrl-F12, Shift-F12, Alt-F12).

* To use the shortcut keys go to Options -> Preferences -> Key mapping,
  select 'Use this file...' field and choose DDM.key file from the main
  DDM folder. Then exit PFE to save the changes.

The shortcut keys for 'Execute' menu commands may be altered at
Options -> Key Mapping.

The 'Execute' menu commands may be changed at
Options -> Preferences -> Execute menu -> Edit.
You may need it to change the paths to DDM, WinPLOTR and structure viewer

The most optimal structure viewer (among freely available ones) is Mercury
which can be downloaded from

http://www.ccdc.cam.ac.uk/products/csd_system/mercury/downloads/

Note that there is no necessity to reload WinPLOTR or Mercury after consequent
executions of DDM since WinPLOTR automatically tracks changes of exp_calc.prf
file in the current folder. WinPLOTR should be reloaded only if the folder
containing the DDM input file was changed.

