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AutoDock4.2.6

by Ruth Huey last modified 2014-08-04 11:53

AutoDock4.2.6 features improved input checking and an output format suitable for automated analysis.

AutoDock 4.2.6 Features:

- More computer platforms are supported in 4.2.6 (see downloads page)

- Both autogrid and autodock are compiled using double-precision
arithmetic

- There is better cross-platform compatibility of the internal
random number generator

- There is improved error checking of command-line arguments -
"autodock4 (or autogrid4) --version" reports compile-time
configuration options

- Autodock4.2.6 checks the atom numbers that define internal and
"flexres" torsions

- Now multiple search methods can be used in a single AutoDock job -
Each docking log file (dlg) always contains the host name, run date,
working directory, names of input PDBQT files, initial random number
seeds and ending total energy and state in a uniform format suitable
for automated analysis

- The process of compiling new atomic parameter tables into AutoDock
and AutoGrid is documented in the README file


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