Accelrys has released Cerius2 4.8, an updated version of the modeling and simulation environment for SGI Irix workstations and other servers. New modules are included for combinatorial library design, quantitative structure-activity relationship analysis, and structure-based drug design. The LigandFit module has also been improved, according to the company. Additional information on Cerius2 4.8 is available at www.accelrys.com/cerius2/.
EMBOSS 2.6.0 is available at: www.uk.embnet.org/Software/EMBOSS or via ftp at: ftp://ftp.uk.embnet.org/ pub/EMBOSS/. The release includes new programs, such as Sixpack, which displays the forward and reverse senses and open reading frames of a sequence; and PESTfind, which identifies PEST motifs as potential proteolytic cleavage sites. The release also contains version 1.0 of the Jemboss Java interface.
HIC-Up (Hetero-compound Information Center, Uppsala) version 7.1 is available from the University of Uppsala at: http://xray. bmc.uu.se/hicup/release.html. The release contains information on 3,941 small molecules that have been taken from the PDB.
The European Bioinformatics Institute now supports a third-party annotation (TPA) dataset at: ftp://ftp.ebi.ac.uk/pub/databases/embl/tpa. EBI customized its WEBIN submission system to allow submissions of TPA sequences to the EMBL sequence database, and the TPA sequences will be exchanged between EMBL, the DDBJ, and GenBank.