HIC-Up Release 5.3 @ 2001-12-01 --> http://xray.bmc.uu.se/hicup

Gerard "DVD" Kleywegt gerard at xray.bmc.uu.se
Mon Dec 3 16:55:11 EST 2001

Dear structural(-ly interested) biologist !

HIC-Up, the Hetero-compound Information Centre - Uppsala,
has been updated and now contains information on 3,416
(up from 3,296 three months ago) hetero-entities that
have been taken from the PDB.

In addition, a number of changes and improvements have
been made to the individual compound pages:

(1) Links to EDS. In cases where an electron-density map
    exists in the Uppsala Electron Density Server (EDS)
    for the parent PDB entry of a hetero-compound, a link
    to the entry's EDS page is provided. In addition,
    under 'Off-site' there will be a direct link to view
    the hetero-compound *and* its electron density using
    the EDS Viewer (requires Java2). So if you have
    doubt about a compound's stereochemistry, go and check
    its electron density !

(2) Sanity checks. A number of oddities are now captured
    by the script that generates HIC-Up and brought to
    your attention through warning messages at the top
    of the compound pages (e.g., bond distances shorter
    than 0.5 A; discrepancies between 'advertised' formulas
    and what is actually found in the PDB; alternative
    chemical formulas, etc.).

(3) Improved mirroring. A number of changes have been made
    that should make local mirroring of HIC-Up a lot
    simpler. See the "Mirrors" page for more info.

(4) Releases of HIC-Up are now numbered and date-stamped,
    so when you refer to the site, you can include the
    version number. The present release is known as
    5.3 and is dated '2001-12-01'. The background colour
    is now pink instead of the blue of the previous

(5) A number of "under the hood" changes make for better:
    - LIGPLOT cartoons (at the bottom of the compound pages)
    - VRML files
    - O connectivity entries
    - O torsion datablocks

(6) The coordinates of the compounds are now transformed
    so as to align their inertia axes with X (major), Y
    and Z (minor). This means that looking at a compound
    along the Z-axis should also give you a 'least-
    cluttered view' of it (i.e., the XY-plane is the
    least-squares plane for the entire compound).

The URL for HIC-Up is: http://xray.bmc.uu.se/hicup


                        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 at 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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