autodocksuite 4.2.6-7build1 source package in Ubuntu
Changelog
autodocksuite (4.2.6-7build1) focal; urgency=medium * No-change rebuild for libgcc-s1 package name change. -- Matthias Klose <email address hidden> Sun, 22 Mar 2020 16:34:10 +0100
Upload details
- Uploaded by:
- Matthias Klose
- Uploaded to:
- Focal
- Original maintainer:
- Debian Med
- Architectures:
- any all
- Section:
- science
- Urgency:
- Medium Urgency
See full publishing history Publishing
| Series | Published | Component | Section | |
|---|---|---|---|---|
| Focal | release | universe | science |
Downloads
| File | Size | SHA-256 Checksum |
|---|---|---|
| autodocksuite_4.2.6.orig.tar.gz | 33.8 MiB | 4b24ce4baf216a5e1a6a79bb664eeed684aed17cede64ff0061aa1bcc17874c4 |
| autodocksuite_4.2.6-7build1.debian.tar.xz | 18.4 KiB | 3326085a7a5ac6e38033f94450cb363247170d05a3a1cc395a528a37cde69614 |
| autodocksuite_4.2.6-7build1.dsc | 2.4 KiB | 484c6e260061f8290a547ac6706181a185c45ce4016deeb4ede1500b03c441e8 |
Available diffs
- diff from 4.2.6-7 (in Debian) to 4.2.6-7build1 (331 bytes)
Binary packages built by this source
- autodock: 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.
- autodock-dbgsym: No summary available for autodock-dbgsym in ubuntu groovy.
No description available for autodock-dbgsym in ubuntu groovy.
- 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: No summary available for autodock-test in ubuntu groovy.
No description available for autodock-test in ubuntu groovy.
- 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: No summary available for autogrid-dbgsym in ubuntu hirsute.
No description available for autogrid-dbgsym in ubuntu hirsute.
- autogrid-test: No summary available for autogrid-test in ubuntu groovy.
No description available for autogrid-test in ubuntu groovy.
