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AutoDock is a well established package for the automated screening of libraries of formal representation of chemical compounds that putatively bind to a particular protein at hand. This package provides a graphical user interface that is helping with the preparation of the protein for such analyses.
The tool AutoLigand, which may help to constrain the location of the binding pocket for yet undescribed proteins, is accompanying the main executable 'runAdt'.
autodocktools and other modules of MGLtools for Debian ====================================================== This package aims at providing the complete infrastructure for ligand screening with Debian Linux. It is part of the MGL (Molecular Graphics Labs at Scripps) Python tools set for the computational and visual interaction of protein structures and their ligands. The Debian community shall more»
AUTOLIGAND(1) User Commands AUTOLIGAND(1) NAME AutoLigand: - identification of a receptor's ligand binding site SYNOPSIS It is suggested to start AutoLigand through the GUI that the autodocktools provide. autoligand r FileBaseName -p #_of_pts The above is a simplification provided for the Debian package. more»
ADT(1) ADT(1) NAME adt - AutoDockTools, a graphical front-end for AutoDock SYNOPSIS runAdt [options] DESCRIPTION This manual page is an almost literal translation of the out‐ put provided by runAdt -h command. OPTIONS A summary of options is included below. For a complete description, r more»
autodocktools (1.5.6~rc3~cvs.20120206-1) unstable; urgency=low * New upstream version. -- Thors more»
This package was debianized by Steffen Moeller <email@example.com> on Thu, 10 Jul 2008 00:03:24 +02 more»