RE: Retrieving data from BMRB

From: Jurgen F. Doreleijers (jurgenfd@gmail.com)
Date: Mon Sep 26 2005 - 09:57:40 CDT


Hi Marina,

The fastest way to download all or a subset of the entries in BMRB is by
FTP. E.g. on Linux you can do:
wget -r ftp://beta.bmrb.wisc.edu/pub/data/nmr-star 
to get all. To get to the chemical shift changes upon ligand binding you
would have to do the math. A spreadsheet program or a little script working
on two chemical shift tables could help with that task.

I hope that answers your question, thanks for using the BMRB.

Best regards,
Jurgen
---
Jurgen F. Doreleijers, Ph.D.
BMRB, University of Wisconsin-Madison, WI, USA
mailto:jurgenfd@gmail.com

> -----Original Message-----
> From: owner-bmrblist@bmrb.wisc.edu 
> [mailto:owner-bmrblist@bmrb.wisc.edu] On Behalf Of M Cioffi
> Sent: Saturday, September 24, 2005 3:24 PM
> To: bmrblist@bmrb.wisc.edu
> Subject: 
> 
> 
> Hi all,
> I had a look into the website BioMagResBank I saw all the 
> structures deposited
> in the website and the NMR data associated to the entries 
> (for example Chemical
> Shift data), but I could not find the way to retrieve them. 
> Is there the
> possibility, once have chosen the PDB entry (for example of a 
> protein ligand
> complex), to obtain from it just the
> chemical shift changes values? Do I need a special program to 
> retrieve from the
> database just this information? 
> Thanks a lot,
> Marina

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