autodocksuite 4.2.5.1-3ubuntu1 source package in Ubuntu
Changelog
autodocksuite (4.2.5.1-3ubuntu1) trusty; urgency=medium
* Use autotools-dev to update config.{sub,guess} for new arches.
-- Logan Rosen <email address hidden> Thu, 26 Dec 2013 22:52:16 -0500
Upload details
- Uploaded by:
- Logan Rosen
- Uploaded to:
- Trusty
- Original maintainer:
- Ubuntu Developers
- Architectures:
- any all
- Section:
- science
- Urgency:
- Medium Urgency
See full publishing history Publishing
| Series | Published | Component | Section | |
|---|---|---|---|---|
| Trusty | release | universe | science |
Downloads
| File | Size | SHA-256 Checksum |
|---|---|---|
| autodocksuite_4.2.5.1.orig.tar.gz | 6.8 MiB | 3f4a301a0ce128509e1c5d08e2f9b13362306bd35716c0b89bd668f912f1d1b2 |
| autodocksuite_4.2.5.1-3ubuntu1.debian.tar.gz | 11.8 KiB | 375d8178b1a6d3eac7763abdc56acfbf5a591b40053eaf04393d978766c16954 |
| autodocksuite_4.2.5.1-3ubuntu1.dsc | 2.1 KiB | 42b7cae472f54914c0990a25f92458217767313fd3c4c69589f345c97a86c122 |
Available diffs
Binary packages built by this source
- autodock: No summary available for autodock in ubuntu utopic.
No description available for autodock in ubuntu utopic.
- 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-test: No summary available for autogrid-test in ubuntu utopic.
No description available for autogrid-test in ubuntu utopic.
