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autodock-vina

docking of small molecules to proteins

Variants:
AutoDock Vina is a program to support drug discovery, molecular docking and virtual screening of compound libraries. It offers multi-core capability, high performance and enhanced accuracy and ease of use.

The same institute also developed autodock, which is widely used.

O. Trott, A. J. Olson, AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization and multithreading, Journal of Computational Chemistry 31 (2010) 455-461

Homepage:
Package version:1.1.2-2+b1
Architecture:amd64
Distribution:Debian
Filename:autodock-vina_1.1.2-2+b1_amd64.deb

/usr/share/man/man1/vina.1.gz

AUTODOCK(1)                                              AUTODOCK(1)



NAME
       vina - docking small molecules against proteins

DESCRIPTION
   Input:
       --receptor arg
              rigid part of the receptor (PDBQT)

       --flex arg
              flexible side chains, if any (PDBQT)

       --ligand arg
              ligand (PDBQT)

   Search space (required):
       --center_x arg
   
more»

/usr/share/man/man1/vina_split.1.gz

AUTODOCK(1)                                              AUTODOCK(1)



NAME
       vina_split  - manual page for AutoDock Vina PDBQT Split 1.1.1
       (Apr 20, 2010)

DESCRIPTION
   Input:
       --input arg
              input to split (PDBQT)

   Output (optional) - defaults are chosen based on the  input  file
       name:
       --ligand arg
              prefix for ligands

       --flex ar
more»

/usr/share/doc/autodock-vina/changelog.Debian.gz

autodock-vina (1.1.2-2+b1) sid; urgency=low

  * Binary-only non-maintainer upload for amd64; no source changes.
  * Rebuild against boost1.49

 -- amd64 Build Daemon (brahms) <buildd_amd64-brahms@buildd.debian.org>  Sat, 07 Apr 2012 08:08:18 +0000

autodock-vina (1.1.2-2) unstable; urgency=low

  * Fix boost compatibility error (thanks for the patch to
    Sebastian Ramacher <s.ramacher@gmx.at>)

more»

/usr/share/doc/autodock-vina/copyright

This work was packaged for Debian by:

    Yask Gupta <yask.gupta87@gmail.com> on Thu, 11 Nov 2010 1
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