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Tutorials and Examples

Dirdif (DOS, Windows and UNIX) Patterson and Difference Direct Methods based Structure Solution Software by Paul Beurskens et al

Compiling and Installing Dirdif on UNIX

The CCP14 Homepage is at http://www.ccp14.ac.uk
[Tutorials page] | [Dirdif Tutorial Index]

(Note: Dirdif for UNIX is trivial to use from within the Platon/System Suite based around Shelx style files (activated at the click of a single button). The complete System S install instructions are provided on the web.)

Download the Dirdif 99.2 Distribution files

On your local machine make a the following set of directories dirdif/ddroot/ddftp.
Change directory into the dirdif/ddroot/ddftp directory.

Via the Web or FTP either all the files in the allunix directory or go into the unix directory and grab the zip files, ddmake2.unix, ddmake3.unix and the relevant ddmake.* file (this is being compiled on a Silicon Graphics so that would be ddmake.sg)

It is assumed an unzip program is installed on the SGI machine. This may not be the case so you will have to install unzip (or grab the individual files if you cannot be bothered finding unzip for SGI)

Dirdif - University of Nijmegen - Paul T. Beurskens and R. de Gelder

In the case of downloading the zip files, this should give you the following on the SGI machine. 
xrdsv1 117% ls -al
total 1141
drwxr-xr-x    2 ccp      ccp     512 Oct  6 01:08 .
drwxr-xr-x    3 ccp      ccp     512 Oct  5 16:59 ..
-rw-r--r--    1 ccp      ccp    1967 Oct  6 01:08 ddmake.sg
-rw-r--r--    1 ccp      ccp    2415 Oct  6 01:08 ddmake2.unix
-rw-r--r--    1 ccp      ccp     670 Oct  6 01:07 ddmake3.unix
-rw-r--r--    1 ccp      ccp   98685 Oct  6 01:07 doc.zip
-rw-r--r--    1 ccp      ccp  403372 Oct  6 01:07 f.zip
-rw-r--r--    1 ccp      ccp   62236 Oct  6 01:07 imp.zip
-rw-r--r--    1 ccp      ccp   12582 Oct  6 01:07 monos.zip

Type sh ddmake.sg to compile up dirdif (that is all that is required for compilation). You might get some warnings but this can be natural depending on the compiler.

(if the installation complains/fails in that it cannot find some *.f files, this could be that they were inside the ZIP file in uppercase filenames. If this is the case, copy all the uppercase filenames into lower case - e.g., cp PATTY.F patty.f)

Now CD back one directory to the ddroot subdirectory.

If Dirdif gives a message saying that no licence file is available, (ddcon (config) and ddlic (licence) files) a zipped licence file can be obtained by clicking here.

(You may need to be root/system user to do some of the following)

You may wish to move the ddroot directory to a more appropriate area:
e.g., /usr/local/bin/ddroot

Then edit the ddroot/bin/dirdif file and:

  • Change DDROOTPATH to where the ddroot path actually exists. In the above case /usr/local/bin/ddroot
  • Change ORUSERPATH=/nsr/$NAME to ORUSERPATH=$DDROOTPATH
Then copy the ddroot/bin/dirdif file to somwhere in your path (e.g., /usr/local/bin)

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