Subject: data analysis of protein crystal structure

From: <[email-masked]>
Date: Thu, 9 Feb 95 21:52:49+0530

Hi! 
    About Ten or fifteen days back I posted a query regarding the
personal experiences of the people involved in the data analysis of
the crystal structures of biomolecules esp. proteins.  I am sorry to
state that my query evoked only two responses.
 one of the advices that came my way was about the selection of dataset.
I agree with the responder that this is a problem.
  I have found out that in PDB there is a directory called user_group
which contains different useful subdirectories.  One of them call
subset_list contains the list of PDB entries for proteins which
have been selected using some criteria.  one of the list is from
Jane Richardson's lab for different structural motifs. Another from
Chris Sander's lab lists the proteins with less than 30% sequence 
homology.  I hope tihs information is very useful to the people involved
in this area. 
           I renew my request to the people involved in data analysis
to come forward and share their experiences with one another.  I may
also be useful to the outsiders also as it can give them a glimpse
of current situation in this important field.  I am basically interested
in discussing how statistics can be exploited to shed some light on the
hidden principles  and properties of protein structures which are being
diposited in the databanks.  What all can we learn from data analysis?
I am sure the are many more protein motifs still left undiscovered in
these PDB files. There may be answers hidden in these files which could
tell us why protein secondary structure prediction is still inaccurate.
Only things we need to do is to be frank and informally discuss the
various problems one generally encounters when taking up such a project.
How best one can cope with it.  I will even welcome sharing of latest
litrature on the subjects amongst the people involved in such projects.
                           yours' cordially
                           sandeep kumar