[ccp4bb] HIC-Update: Release 11.2 @ 2007-06-01 ==> 7,452 compounds

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Subject: HIC-Update: Release 11.2 @ 2007-06-01 ==> 7,452 compounds
From: Gerard DVD Kleywegt gerard {- at -} XRAY {- dot -} BMC {- dot -} UU {- dot -} SE
Date: 2007-06-05

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@xray.bmc.uu.se
******************************************************************
The opinions in this message are fictional. Any similarity
to actual opinions, living or dead, is purely coincidental.
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CCP4bb navigation

CCP4bb <-- 2007 <-- June 2007 <-- 05 June 2007

Previous message:
Subject: Re: B-factor & Space gr questions!
From: Phil Jeffrey pjeffrey {- at -} PRINCETON {- dot -} EDU
Date: 2007-06-05

Next message:
Subject: Re: B-factor & Space gr questions!
From: Bart Hazes bart {- dot -} hazes {- at -} UALBERTA {- dot -} CA
Date: 2007-06-05