autodocksuite 4.2.6-5 source package in Ubuntu


autodocksuite (4.2.6-5) unstable; urgency=medium

  [ Steffen Moeller ]
  * debian/upstream/metadata:
    - Added Nat. Prot. paper
    - Added references to registries
    - yamllint cleanliness - mostly
  * Bumped policy to 4.1.0 (no changes)

  [ Andreas Tille ]
  * Moved packaging from SVN to Git
  * debhelper 10
  * Standards-Version: 4.1.1
  * d/watch: version=4

 -- Andreas Tille <email address hidden>  Mon, 13 Nov 2017 15:18:14 +0100

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Debian Med
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Debian Med
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Series Pocket Published Component Section
Bionic release universe science


File Size SHA-256 Checksum
autodocksuite_4.2.6-5.dsc 2.4 KiB 0a2b8ed8bf81ea58cf4d4a66996ca7be51aebbd198ba553ee44dd7235741e546
autodocksuite_4.2.6.orig.tar.gz 33.8 MiB 4b24ce4baf216a5e1a6a79bb664eeed684aed17cede64ff0061aa1bcc17874c4
autodocksuite_4.2.6-5.debian.tar.xz 11.7 KiB 53ea66953677777017137ccb44795b84af0ba1e6daf9e5334a28365d8a553707

Available diffs

No changes file available.

Binary packages built by this source

autodock: No summary available for autodock in ubuntu disco.

No description available for autodock in ubuntu disco.

autodock-dbgsym: debug symbols for autodock
autodock-getdata: instructions for getData to collect compounds

 This package provides instructions for getData to retrieve
 descriptions for sets of molecular compounds that can be used
 directly as input for autodock. The data is not provided
 direclty by this package. Only the instructions for the download
 are maintained here.
 The FightAids@Home project of the World Community Grid publicly
 provides the input sets of their runs. The original structures
 come from the ZINC database and have been processed from the
 mol2 to pdbqt format by the Scripps institute:
  * asinex
  * chembridge_buildingblocks_pdbqt_1000split
  * drugbank_nutraceutics
  * drugbank_smallmol
  * fda_approved
  * human_metabolome_pdbqt_1000split
  * otava
  * zinc_natural_products
 Please cite the ZINC database when using that data.

autodock-test: test files for AutoDock

 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.
 This package contain the test files for the AutoDock program.

autogrid: No summary available for autogrid in ubuntu disco.

No description available for autogrid in ubuntu disco.

autogrid-dbgsym: debug symbols for autogrid
autogrid-test: test files for AutoGrid

 The AutoDockSuite addresses the molecular analysis of the docking of
 a smaller chemical compounds to their receptors of known three-dimensional
 This package contain the test files for the AutoGrid program.