CCL: LigandScout 2.0 released

 Sent to CCL by: "Gerhard  Wolber" [wolber-,-inteligand.com]
 Dear colleagues,
 we would like to announce the new version 2.0 of our 3D pharmacophore modeling
 application LigandScout. LigandScout allows for sophisticated 3D pharmacophore
 generation from macromolecule-ligand complexes, pharmacophore overlay and
 interpolation, a lightning fast and robust pharmacophore-based alignment
 algorithm that allows creating consensus pharmacophores and merged feature
 pharmacophores. In version 2.0 we added support for various new file formats,
 including pharmacophore export to Catalyst(tm), Phase(tm), and MOE(tm), metal
 complexing features for Iron, Magnesium and Zinc, as well as spreadsheet
 functionality that allows for re-scoring of docking results according to
 pharmacophores or refitting screening results from other programs. Additionally,
 there is a full-featured implementation of MMFF94s that allows for approximated
 calculation of strain energies, molecule modification with on-the-fly
 minimization, and minimization of screening results in the binding site.
 More information along with an on-line manual can be found on our website (http://www.inteligand.com/ligandscout), as well as a fully
 functional evaluation version for download (http://www.inteligand.com/ligandscout/download.shtml). The
 software is very affordable for academic institutions, and we also offer
 software grants. We appreciate any feed-back including feature requests and
 comments.
 Best regards,
 Gerhard Wolber
 --
 Dr. Gerhard Wolber
 Executive Partner, Head of Technology
 Inte:Ligand Software-Entwicklungs- und Consulting GmbH
 Mariahilferstrasse 74B/11             1070 Wien/Vienna
 Phone +43 699 15075000         Fax +43 1  8174955 1371
 Web: www.inteligand.com    Mail: wolber _ inteligand.com