[X-plor] HIC-Update: Release 11.2 @ 2007-06-01 ==> 7,452 compounds

Gerard DVD Kleywegt via x-plor%40net.bio.net (by gerard from xray.bmc.uu.se)
Tue Jun 5 14:41:58 EST 2007


Dear structural(-ly interested) biologist !

HIC-Up, the Hetero-compound Information Centre - Uppsala, has been updated and 
now contains information on 7,452 hetero-entities. This is the last HIC-Up 
version prior to the release of the remediated PDB. Hopefully, the remediation 
will improve the quality of HIC-Up, but there could of course be unforeseen 
hiccoughs ...

The lay-out of the compound pages has been modified slightly. In particular, 
the "Off-site" links have been grouped together under the subheadings 
Validation, Description, PDB entries, Structural biology and Miscellaneous.

In addition, there are compound-specific links to a number of new (external) 
services, including ValLigURL (validation and comparison of ligand structures; 
Uppsala), PROCOGNATE (lists proteins for which a compound is a cognate ligand, 
if any; EBI), and FireDB (lists residues that interact with a ligand; CNIO, 
Spain). Moreover,for each compound a link to its XML dictionary (from MSDchem) 
is provided, as is a page for interactive visualisation with Jmol.

HIC-Up is available for local mirroring (follow the instructions in 
http://xray.bmc.uu.se/hicup/mirror.html). You can also download a single PDB 
file (ftp://xray.bmc.uu.se/pub/gerard/extras/hetero/hetero.pdb) that contains 
experimental coordinates for all the compounds.

The URL for HIC-Up is:

                         http://xray.bmc.uu.se/hicup

For an example of the new HIC-Up pages, see the page for camphor, CAM, at URL 
http://xray.bmc.uu.se/hicup/CAM (or your own pet ligand's page)

--dvd

******************************************************************
                           Gerard J.  Kleywegt
       [Research Fellow of the Royal  Swedish Academy of Sciences]
   Dept. of Cell & Molecular Biology  University of Uppsala
                   Biomedical Centre  Box 596
                   SE-751 24 Uppsala  SWEDEN

       http://xray.bmc.uu.se/gerard/  mailto:gerard from xray.bmc.uu.se
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      The opinions in this message are fictional.  Any similarity
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