Newsgroup sci.techniques.xtallography 3095

Directory

Bernhard Rupp wrote:
> I have a tutorial on how to use CGI programming to get
> your old trustworthy fortran code web-ready. I have
> adapted the space group decoding routine from my SEXIE
> program. Comes in handy if you need the number or symbol
> decoded into machine readable symmetry operators. Check
> it out.
Does SEXIE dislike non-standard settings ? I obtained this
response:     "Your space group symbol is invalid:P 21/A" .
Moreover, I have not found the tutorial.
> Many of us may have a small program that does something
> useful, and does it well. It would be nice to have those
> available on the web. With very simple CGI programming
> your old F66 code can get a graphical windows interface!
Try the new keyword search possibility of the SDPD-D 
(Structure Determination from Powder Diffraction Database).
The Perl-CGI code runs on a small PC under Windows 95:
       http://fluo.univ-lemans.fr:8001/iniref.html
-- 
Armel Le Bail

Mike Burnett (mnb@ornl.gov) wrote:
: With CAD4 running under DOS (NOT linux) on a PC, is it possible to
: execute a DOS command at the CAD4 prompt?
: Mike Burnett
: mnb@ornl.gov
Try DR-DOS 6.0 or Novell-DOS 7.0.
You can use an task-switch.
With crtl-space (depends on configuration) we switch between
cad4-controlling and dos. For example controling disk-space 
or sending cad4.dat via ftp to our indy works fine.
It dosent work while measurements.
To execute a DOS command at the CAD4 prompt we think is not
supported by the cad4-program.
c. roebke
university cologne, inst. for organic chemistry

Stefan Reichling  wrote:
>Hello,
>I'm looking for organic molecules which crystalize in a known packing
>f.e. cubic or hexagonal. I just want to receive these structures from
>the CSD but as far as I know the CSD covers no information about the
>crystal packing of the molecules. So I need some information which
>molecules crystalize in a known packing to search them in the CSD.
Look in a golden oldie reference:
A.I. Kitaigorodski, Organic Chemical Crystallography, 1961 
The book is about molecular packing.
Dr. David A. Prystupa
Spectrum Informatics

Stefan Reichling  wrote:
>Hello,
>I'm looking for organic molecules which crystalize in a known packing
>f.e. cubic or hexagonal. I just want to receive these structures from
>the CSD but as far as I know the CSD covers no information about the
>crystal packing of the molecules. So I need some information which
>molecules crystalize in a known packing to search them in the CSD.
>steve
A golden oldie book about molecular packing is
A.I. Kitaigorodski, Organic Chemical Crystallography, 1961.
Dr. David A. Prystupa
Spectrum Informatics