[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]
[ccp4bb]: HIC-Up Release 5.3 @ 2001-12-01 --> http://xray.bmc.uu.se/hicup
*** For details on how to be removed from this list visit the ***
*** CCP4 home page http://www.ccp4.ac.uk ***
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
version.
(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
--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.
******************************************************************