[Debian-med-packaging] autodocksuite_4.0.1-1_amd64.changes is NEW
installer at ftp-master.debian.org
Sat Mar 1 18:17:04 UTC 2008
(new) autodock_4.0.1-1_amd64.deb optional science
analysis of ligand binding to protein structure
AutoDock is a prime representative of the programs addressing the
simulation of the docking of fairly small chemical ligands to rather big
protein receptors. Earlier versions had all flexibility in the ligands
while the protein was kept rather ridgid. This latest version 4 also
allows for a flexibility of selected sidechains of surface residues,
i.e., takes the rotamers into account.
The AutoDock program performs the docking of the ligand to a set of
grids describing the target protein. AutoGrid pre-calculates these grids.
(new) autodocksuite_4.0.1-1.diff.gz optional science
(new) autodocksuite_4.0.1-1.dsc optional science
(new) autodocksuite_4.0.1.orig.tar.gz optional science
(new) autogrid_4.0.1-1_amd64.deb optional science
pre-calculate binding of ligands to their receptor
The AutoDockSuite addresses the molecular analysis of the docking of
a smaller chemical compounds to their receptors of known three-dimensional
The AutoGrid program performs pre-calculations for the docking of a
ligand to a set of grids that describe the effect that the protein has
on point charges. The effect of these forces on the ligand is then
analysed by the AutoDock program.
Changes: autodocksuite (4.0.1-1) unstable; urgency=low
* Initial release (Closes: #434654)
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Announcing to debian-devel-changes at lists.debian.org
Closing bugs: 434654
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