AutoDock Vina¶
Table of Contents
Basic information¶
- Installation date: 19/09/2016
- URL: http://vina.scripps.edu/index.html
- Apolo version: Apolo I
- License: Apache License Version 2.0
Installation¶
- First download the tar from the main page
$ wget https://ccpforge.cse.rl.ac.uk/gf/download/frsrelease/255/4726/dl_class_1.9.tar.gz
$ tar -zxvf dl_class_1.9.tar.gz
- configure the makefile
cd dl_class_1.9
cp build/MakePAR source/Makefile
cd source
module load openmpi/1.6.5_gcc-4.8.4
make gfortran
Module¶
#%Module1.0#####################################################################
##
## modules dl_class/1.9_openmpi-1.6.5_gcc-4.8.4
##
## /share/apps/modules/dl_class/1.9_openmpi-1.6.5_gcc-4.8.4
## Written by Mateo Gomez-Zuluaga
##
proc ModulesHelp { } {
puts stderr "\tdl_classic/1.9_openmpi-1.6.5_gcc-4.8.4 - sets the
\n\tEnvironment for DL_POLY Classic in the share directory
\n\t/share/apps/dl_class/1.9/openmpi-1.6.5/gcc-4.8.4\n"
}
module-whatis "\n\n\tSets the environment for using DL_POLY Classic 1.9 \
\n\tbuilded with openMPI 1.6.5 and GCC 4.8.4 version\n"
# for Tcl script use only
set topdir /share/apps/dl_class/1.9/openmpi-1.6.5/gcc-4.8.4
set version 1.9
set sys x86_64-redhat-linux
module load openmpi/1.6.5_gcc-4.8.4
prepend-path PATH $topdir/bin
Usage mode¶
module load dl_class/1.9_openmpi-1.6.5_gcc-4.8.4
References¶
- Mail from the people of the University of Cartagena
- Manual within the software package