AutoDock 4.2.6

Table of Contents

• AutoDock 4.2.6
  • Basic information
  • Installation
    • Using precompiled files
  • Module
  • Mode of Use
  • References
  • Authors

Basic information

• Installation Date: 19/10/2017
• URL: http://autodock.scripps.edu/
• License: GNU-LPLv2+
• Installed on: Apolo II

Installation

Using precompiled files

1. Download the binary for kernel version 2.6.32-504.16.2.el6.x86_64 (obtained by uname -r)

   wget http://autodock.scripps.edu/downloads/autodock-registration/tars/dist426/autodocksuite-4.2.6-x86_64Linux2.tar
   

2. Unzip the binaries

   tar -xvf autodocksuite-4.2.6-x86_64Linux2.tar
   

3. We create the installation folder and move the downloaded binaries

   cd x86_64Linux2
   mkdir -p /share/apps/autodock/4.2.6/bin/
   mv autodock4 autogrid4 /share/apps/autodock/4.2.6/bin/
   

Module

#%Module1.0####################################################################
##
## module load autodock/4.2.6
##
## /share/apps/modules/autodock/4.2.6
## Written by Juan David Arcila Moreno
##

proc ModulesHelp {} {
    global version modroot
    puts stderr "Sets the environment for using autodock 4.2.6\
                \nin the shared directory \
                \n/share/apps/autodock/4.2.6/\
                \nbuilded with gcc-5.4.0"
}

module-whatis "(Name________) autodock"
module-whatis "(Version_____) 4.2.6"
module-whatis "(Compilers___) "
module-whatis "(System______) x86_64-redhat-linux"
module-whatis "(Libraries___) "

# for Tcl script use only
set         topdir        /share/apps/autodock/4.2.6
set         version       4.2.6
set         sys           x86_64-redhat-linux

conflict autodock


prepend-path    PATH                    $topdir/bin

Mode of Use

module load autodock/4.2.6
autodock4
autogrid4

References

• http://autodock.scripps.edu/downloads/autodock-registration/autodock-4-2-download-page/%7C

Authors

• Juan David Arcila Moreno