3D oxalate crystal structures

Dan Jacobson danj at welchgate.welch.jhu.edu
Sat Jan 30 10:33:50 EST 1993

In article <John.Meehan.10.728258770 at bioch.utas.edu.au> john.meehan at bioch.utas.edu.au (John Meehan) writes:
>G'day from down under "down under",
>	I am looking for 3D crystal structures of various biological calcium 
>salts.....primarily CaOxalate and hydroxyapatite although CaSulphate and 
>carbonate would also be useful. 
>	Also, how can these be displayed and manipulated? Are there 
>databases containing these type of crystal structures? 
>	Our research group is endevouring to examine how various inhibitors 
>of crystallization (citrate etc) bind to these crystals in 3D space. Any 
>ideas on software capable of performing this task would also be appreciated.
>		many thanks
>			   John Meehan
>University of Tasmania
>Australia  email: jmeehan at bioch.utas.edu.au

The database that your looking for is probably the  
Cambridge Structural Database (CSD).  Below is a brief description
of the Database and some people to contact for more information
on accessing it.  All this information was obatined by two simple
searches on the gopher hole at merlot.welch.jhu.edu.  If you
don't know what gopher is - ask!  It's free and brings an enormous
amount of information to you fingertips.

Best of luck,

Dan Jacobson

danj at welchgate.welch.jhu.edu


     The CSD contains the most comprehensive collection of evaluated
     crystallographic data in the world.  Data for about 80,000 organic
     and organometallic crystal structures  were included in the CSD as
     of January, 1991.  Atomic coordinates, chemical connectivity
     tables, bibliographic data fields including reference sources for
     the data, and coordinates for chemical structure diagrams for each
     molecule are part of the system....  About 8000 new crystal
     structures will be added to the data base yearly.

The contact in the U.K. is:

            Dr. Olga Kennard
            University Chemical Laboratory
            Lensfield Road
            Cambridge,  CB2 1EW
            [011-44] 223-336409

A contact in the U.S. is probably:

Investigator: Charles L Coulter
Sponsor     : National Institute of Health National Center for Research Resour
              Biomedical Research Technology Program
              Westwood Bldg Rm 8A15
              Bethesda, MD 20892                            

Phone       : (301) 496-9840

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