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
C.C.D.C.
University Chemical Laboratory
Lensfield Road
Cambridge, CB2 1EW
U.K.
[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
or
William Duax
Medical Foundation of Buffalo, Inc.
73 High Street
Buffalo, NY 14203
Phone: (716) 856-9600
email: acamjv%mfb at ubvms.bitnet
