RE: PDB coordinate file

From: Nancy O. Manning (oeder@nob.pdb.bnl.gov)
Date: Mon Jul 15 1996 - 17:18:10 CDT


DB is on about to release a Web-based graphical user interface,
AutoDep, that will greatly simplify the process of making an
acceptable deposition.  AutoDep will both reduce the depositors'
time spent in filling out the deposition form and increase the
accuracy and information content of a PDB entry.

Now in the final stages of "beta" testing, AutoDep will be
demonstrated and released this August at the IUCr XVII International
Congress in Seattle, Washington, USA.  Be sure to visit the PDB
booth in the Exhibition Area in order to view and try out the
program.

As Gerard said, a very powerful feature of AutoDep is the ability
to populate the form from a previous deposition or released entry.
Additionally, PDB-formatted output from refinement or modeling
programs, e.g., the new releases of X-PLOR 4.0 and SHELX-96, and
MOLEMAN, can be submitted and will automatically be merged into
the form.

Preliminary verification of each field in the form is done during
an interactive session via the WWW. The depositor can view the
resultant header portion of the PDB entry at any time to check his
or her progress.  A simple script is provided that can be copied
to a window on the home computer which will FTP the coordinates
and related files to the PDB.

The AutoDep procedure is based on CIF and uses CIF-based data
dictionaries. Any changes to the deposition procedures or
information  content of PDB entries are easily accommodated by
editing the dictionary  files.

Please see the July 1996 PDB Quarterly Newsletter which will be
released on the PDB Web Site (http://www.pdb.bnl.gov) tomorrow
for a complete introduction to AutoDep.

Best regards,
Nancy


-- 
_______________________________________________________________________

 Nancy Oeder Manning                  Protein Data Bank
 Outreach Program Coordinator         Brookhaven National Laboratory
 oeder@bnl.gov                        Biology Department, Bldg. 463
 (516) 344-5744 phone                 P.O. Box 5000
 (516) 344-5751 FAX                   Upton, NY 11973-5000   USA
_______________________________________________________________________



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