Dear structural(-ly interested) biologist !
HIC-Up, the Hetero-compound Information Centre - Uppsala, has been updated and
now contains information on 7,870 hetero-entities. This is the first HIC-Up
version after the release of the remediated PDB. A few changes had to be made
to the underlying scripts and programs, but hopefully everything has been
ironed out now.
The compound pages now also contain links to ChEBI and MSDchem@RCSB as well as
to a new MSDmotif service that gives a PDB file for every instance of a ligand
in the PDB along with all residues within 4.25A (plus a residue one each side;
these PDB files are collected into one tar file for download).
Links to PDBsum, ProCognate, PDBREPORT and ReLiBase have been updated. Please
note that ReLiBase requires registration nowadays (free for academics,
though).
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)
If you want to cite HIC-Up, you can use: Kleywegt, G.J. (2007).
Crystallographic refinement of ligand complexes. Acta Cryst D63, 94-100. To
request a reprint:
http://xray.bmc.uu.se/cgi-bin/gerard/reprint_mailer.pl?pref=82
--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:[log in to unmask]
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The opinions in this message are fictional. Any similarity
to actual opinions, living or dead, is purely coincidental.
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