autodocksuite 4.2.6-3 source package in Ubuntu

Changelog

autodocksuite (4.2.6-3) unstable; urgency=medium

  * cme fix dpkg-control
  * avoid csh Build-Depends
  * Fix Mayhem issue
    Closes: #715663

 -- Andreas Tille <email address hidden>  Sat, 19 Dec 2015 21:14:43 +0100

Upload details

Uploaded by:
Debian Med
Uploaded to:
Sid
Original maintainer:
Debian Med
Architectures:
any all
Section:
science
Urgency:
Medium Urgency

See full publishing history Publishing

Series Pocket Published Component Section
Xenial release universe science

Downloads

File Size SHA-256 Checksum
autodocksuite_4.2.6-3.dsc 2.4 KiB 50188aedbadab6743a665b253ba4143a03fceb2d20aa925f28d6ece09ac5aa3f
autodocksuite_4.2.6.orig.tar.gz 33.8 MiB 4b24ce4baf216a5e1a6a79bb664eeed684aed17cede64ff0061aa1bcc17874c4
autodocksuite_4.2.6-3.debian.tar.xz 11.6 KiB 0c468fb7d6b6f519e73e92ec75358b958d58448e90a7f5f96889c00070ce8460

Available diffs

No changes file available.

Binary packages built by this source

autodock: No summary available for autodock in ubuntu yakkety.

No description available for autodock in ubuntu yakkety.

autodock-dbgsym: No summary available for autodock-dbgsym in ubuntu zesty.

No description available for autodock-dbgsym in ubuntu zesty.

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: 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.

autogrid-dbgsym: debug symbols for package autogrid

 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.

autogrid-test: No summary available for autogrid-test in ubuntu zesty.

No description available for autogrid-test in ubuntu zesty.