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 Open-Source — ultimaker ultimaker (Ultimaker) / debian-backup — Project
A certifiably-awesome open-source package repository curated by Ultimaker, hosted by Cloudsmith.
Note: Packages in this repository are licensed as GNU General Public License v3.0 or later (dependencies may be licensed differently).
Packages 87951 Package Groups 56001 Public Keys

Debian logo autodock  4.2.6-6

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One-liner (summary)

analysis of ligand binding to protein structure

Description

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.

License

Unknown

Size

148.3 KB

Downloads

0

Tags

debian/buster deb armhf main latest

Status  Completed
Checksum (MD5) e8394fa6c73cf6d54ed6f657789948b3
Checksum (SHA-1) 89d54c56999d10ebf51ccc5c30816e073c1ffc97
Checksum (SHA-256) 3a9c37653cfbef8362fdd141fdf0f415d722910abf080604ba9297fbc18ac38a
Checksum (SHA-512) 46ca1daf62d6a1559c71a45afb45cac2d81698ebeacbb4d8a168a5f6a08d4762a8…
GPG Signature
Download
GPG Fingerprint c0a114330029b468b1146f70c334efcb2c4f9be3
Distribution debian/buster - Debian - 10 (Buster)
Storage Region  Dublin, Ireland
Type  Binary (contains binaries and binary artifacts)
Uploaded At 7 months, 3 weeks ago
Uploaded By alex-borro
Slug Id autodock_426-6_armhfdeb-ipwm
Unique Id OhuomGqFCtxG
Version (Raw) 4.2.6-6
Version (Parsed)
  • Major: 4
  • Minor: 2
  • Patch: 6
  • Pre (Str): (empty)
  • Pre (Num Array): 6
  • Type: SemVer (Strict)
  extended metadata
Homepage http://autodock.scripps.edu/
Installed Size 302.0 KB
Maintainer Debian Med Packaging Team <debian-med-packaging@lists.alioth.debian.org>
Priority optional
Section science
Source autodocksuite
pkg autodock_4.2.6-6_armhf.deb 0
148.3 KB 		md5 sha1 sha256 sha512
Package Contents (autodock_4.2.6-6_armhf.deb)
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This package has 18 files/directories.

Dependencies

5

Checksum (md5)

0a8012ae867bb48e9da005b11fd7ebfd

Depends
libc6 >=2.4
Depends
libgcc1 >=1:3.5
Depends
libstdc++6 >=5.2
Suggests
autodocktools
Suggests
autogrid
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|This version of 'autodock' @ Cloudsmith|
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<a href="https://cloudsmith.io/~ultimaker/repos/debian-backup/packages/detail/deb/autodock/4.2.6-6/a=armhf;xc=main;d=debian%252Fbuster;t=binary/"><img src="https://api.cloudsmith.com/v1/badges/version/ultimaker/debian-backup/deb/autodock/4.2.6-6/a=armhf;xc=main;d=debian%252Fbuster;t=binary/?render=true" alt="This version of 'autodock' @ Cloudsmith" /></a>

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|Latest version of 'autodock' @ Cloudsmith|
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rendered as: Latest version of 'autodock' @ Cloudsmith

These instructions assume you have setup the repository first (or read it).

To install/use autodock @ version 4.2.6-6 ...

To install packages, you can quickly setup the repository automatically (recommended): 

curl -1sLf \
  'https://dl.cloudsmith.io/public/ultimaker/debian-backup/setup.deb.sh' \
  | sudo -E bash

If you need to force a specific distribution, release/version, architecture, or component (if supported), you can also do that (e.g. if your system is compatible but not identical): 

curl -1sLf \
  'https://dl.cloudsmith.io/public/ultimaker/debian-backup/setup.deb.sh' \
  | sudo -E distro=debian codename=buster arch=ARCH component=COMPONENT bash

or ... you can manually configure it yourself before installing packages: 

apt-get install -y debian-keyring  # debian only
apt-get install -y debian-archive-keyring  # debian only
apt-get install -y apt-transport-https
# For Debian Stretch, Ubuntu 16.04 and later
keyring_location=/usr/share/keyrings/ultimaker-debian-backup-archive-keyring.gpg
# For Debian Jessie, Ubuntu 15.10 and earlier
keyring_location=/etc/apt/trusted.gpg.d/ultimaker-debian-backup.gpg
curl -1sLf 'https://dl.cloudsmith.io/public/ultimaker/debian-backup/gpg.C334EFCB2C4F9BE3.key' |  gpg --dearmor >> ${keyring_location}
curl -1sLf 'https://dl.cloudsmith.io/public/ultimaker/debian-backup/config.deb.txt?distro=debian&codename=buster&component=main' > /etc/apt/sources.list.d/ultimaker-debian-backup.list
sudo chmod 644 ${keyring_location}
sudo chmod 644 /etc/apt/sources.list.d/ultimaker-debian-backup.list
apt-get update
sudo apt-get install autodock=4.2.6-6
Warning: Note that this package is for Debian 10 (Buster) / armhf and may only work for that configuration.
Still stuck? Need help? Don't panic. Just contact us for help (even if you're not a customer).
Previous Version: 4.2.6-6
Next Version: 4.2.6-6
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