|
|
File Search | Catalog | Content Search |
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.
| Homepage: | http://autodock.scripps.edu/ |
| Package version: | 4.2.3-2 |
| Architecture: | s390 |
| Distribution: | Debian |
| Filename: | autogrid_4.2.3-2_s390.deb |
AutoGrid README $Id: README,v 1.4 2009/05/29 20:53:16 rhuey Exp $ What is AutoDock? ================= AutoDock is a suite of automated docking tools. It is designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure. AutoDock actually consists of two main programs: AutoDock performs the docking of the ligand to a set of grids describ more»
What's new? June 1, 2009 AutoDock 4.2 is faster than earlier versions, and it allows sidechains in the macromolecule to be flexible. As before, rigid docking is blindingly fast, and high-quality flexible docking can be done in around a minute. Up to 40,000 rigid dockings can be done in a day on one cpu. AutoDock 4.2 now has a free-energy scoring function that is based on a linear regression anal more»
AUTOGRID(1) AUTOGRID(1)
NAME
autogrid - preparing protein and ligand for AutoDock analysis
SYNOPSIS
autogrid4 [options] -p gridparameterfile
DESCRIPTION
AutoGrid prepares a 3D grid representation of the non-cova‐
lent interaction energies that various user-specified ligand
atom types will experience aroun
more»autodocksuite (4.2.3-2) unstable; urgency=low * Recompilation with gcc-4.6 * Yet no link time o more»
Garrett M. Morris David S. Goodsell Ruth Huey Arthur J. Olson
This package was debianized by Steffen Moeller <moeller@debian.org> on Mon, 23 Jul 2007 16:41:48 +02 more»
| [DIR] | DEBIAN/ (2) 65535+ mirrors | ||
| [DIR] | usr/ (2) 65535+ mirrors |