PDB files for non-proteins

Dan Jacobson danj at dev.gdb.org
Thu Dec 2 12:15:08 EST 1993

In article <2dbt53$q1f at clarknet.clark.net> chinatom at clark.net (Tom Wiens) writes:
>Does anyone know of an online data source similar to the Protein Data Bank, 
>which provides xyz coordinates for molecules other than proteins (e.g., 
>organics or simple inorganic compounds), making possible the modelling of 
>their physical structure?

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. 

There's also the NDB (Nucleic Acid Database)  which is a 3D structure database
for Nucleic Acid based molecules - ie DNA ...  You can access this by gopher
at ndb.rutgers.edu path=1/etc/ndb_link_files

Best of luck,

Dan Jacobson

danj at mail.gdb.org


     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


William Duax
Medical Foundation of Buffalo, Inc.
73 High Street
Buffalo, NY  14203

Phone:  (716) 856-9600
email:  acamjv%mfb at ubvms.bitnet

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