[sdpd] Dirdif 99.2 Structure Solution Software for DOS, Windows, UNIX, VMS

[L.M.D.Cranswick... @dl.ac.uk (L. Cranswick)]

As DIRDIF can be very useful for working on Le Bail
extracted powder data, the following is also being
sent here:

The new Dirdif 99.2 Patterson and Molecular Fragment based Structure
Solution Software by Paul Beurskens, el al is available off the internet
for DOS/UNIX/VMS.  An MS Windows port by Louis Farrugia is also
avaiable.  DIRDIF is a program of first choice for solving heavy
atom problems: where having Sulphur in an organic phase could class
it as a heavy atom problem well within the remit of DIRDIF.

The Dirdif 99.2 enhancements over Dirdif 96 is that it is more powerful
and can handle significant deviations from the correct cell contents.
To enable full functionality of Dirdif 99.2, a licence file is required
which can be obtained from Paul Beurskens (E-mail: ptb... @sci.kun.nl)

The Dirdif 99.2 Homepage is at:
      http://www-sci.sci.kun.nl/xtal/documents/software/dirdif.html

The FTP site for downloading the UNIX/VMS and DOS version is at:
   ftp://ftp.sci.kun.nl/pub/dirdif/
   http://www.ccp14.ac.uk/ccp/ccp14/ftp-mirror/dirdif/pub/dirdif/
   http://ccp14.sims.nrc.ca/ccp/ccp14/ftp-mirror/dirdif/pub/dirdif/

There is also a webpage on installing/compiling DIRDIF 99.2 on UNIX
(in this case an SGI system) at:
   http://www.ccp14.ac.uk/tutorial/dirdif/installunix.html

----

The download site for the MS-Windows version is at:
   http://www.chem.gla.ac.uk/~louis/dirdif/
   http://www.ccp14.ac.uk/ccp/web-mirrors/farrugia/~louis/dirdif/
   http://ccp14.sims.nrc.ca/ccp/web-mirrors/farrugia/~louis/dirdif/

Dirdif 99.2 for Windows can be run stand-alone and also integrates into
Louis Farrugia's WinGX signle crystal suite (WinGX also hooks into
Shelxs, Patsee and Sir92/Sir97 direct methods structure solution software).
   http://www.chem.gla.ac.uk/~louis/software/
   http://www.ccp14.ac.uk/ccp/web-mirrors/farrugia/~louis/software/
   http://ccp14.sims.nrc.ca/ccp/web-mirrors/farrugia/~louis/software/

Tutorial run-throughs on WinGX are available at:
   http://www.ccp14.ac.uk/tutorial/wingx/

-----

For those who wish a point and click option for the UNIX/VMS DIRDIF,
Platon/"System S" by Ton Spek has hooks for DIRIF 99.2 - as well as
Shelxs (97 and 86), Sir97 and Crunch.

The Platon/Pluton/System S homepage is at:
   http://www.cryst.chem.uu.nl/platon/

FTP Downloads at:
   ftp://xraysoft.chem.uu.nl/pub/
   http://www.ccp14.ac.uk/ccp/ccp14/ftp-mirror/platon-spek/pub/
   http://ccp14.sims.nrc.ca/ccp/ccp14/ftp-mirror/platon-spek/pub/

A webpage on setting up System S with all the structure solution
programs is at:
   http://www.ccp14.ac.uk/tutorial/platon/system_s_suite_install.html
This includes high resolution screen dumps of System S in action
so you can see what it is like before you download.

Platon/System is a program under quite rigourous development so it
is best to look for updates often.  Checking for an update once a
day is not unreasonable.

---

Lachlan.

PS: Repeating a fair bit from a previous post, information on setting
up dual boot Windows/UNIX PCs is at:

   http://www.ccp14.ac.uk/solution/linux/linwin95a.html
     Windows and Redhat Linux 6.0 dual boot systems

   http://www.ccp14.ac.uk/solution/bsdunix/
     Windows and FreeBSD UNIX dual boot systems


Also, if you are unsure which of the dozen or more free PC LINUX/UNIX
operating systems you may like try installing for Dual Boot Crystallographic
applications, there is a draft page on "Ease of Installation and
Configuration for PC based Operating Systems" at:

  http://www.ccp14.ac.uk/solution/xtalcomputer/ease_of_os_install.html

This includes the 3 BSD UNIX distribution, 11 LINUX versions and
the various Windows Distributions.  Links to homepages and mirrors
for free download and installation of the operating systems are
included for people to try things out for themselves.  (Despite
good references, I did not have that much fun with installing
SuSE Linux or Debian Linux)

-- 
Lachlan M. D. Cranswick

Collaborative Computational Project No 14 (CCP14)
    for Single Crystal and Powder Diffraction
Daresbury Laboratory, Warrington, WA4 4AD U.K
Tel: +44-1925-603703  Fax: +44-1925-603124
E-mail: l.cranswick... @dl.ac.uk  Ext: 3703  Room C14
                           http://www.ccp14.ac.uk