[Debian-med-packaging] autodocksuite_4.0.1-1_amd64.changes is NEW

[Debian Installer]

(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
 structure.
 .
 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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