Wall Street Journal WASHINGTON — Cyberspies have penetrated the U.S. electrical grid and left behind software programs that could be used to disrupt the system, according to current and former national-security officials. The spies came from China, Russia and other countries, these officials said, and were believed to be on a mission to navigate the U.S. [...]
So, I have a kindof off the wall question. I've got 10 computers which I inherited from a charter school that closed that I did their admin work for. They're not servers, just workstations with ubuntu server running on them. I had them all up and running at one point... but crimineys the load on my... (8 Replies)
Does anybody know of a good alternative to Sun Grid Engine? It seems that Oracle is now charging for this software. I am running a HPC cluster that has Solaris 10 machines and I am adding some nodes that will be running Ubuntu 10.04, eventually the Solaris machines will be migrating to Ubuntu. (0 Replies)
Hi all,
I'm trying to write a batch program to automate restart of grid control.
oraclehomes\db10g\bin\lsnrctl status >> %filename%
oraclehomes\oms10g\bin\emctl status oms >> %filename%
(This is just for testing.)
However, i cannot seem to let both of the line to execute as the batch... (3 Replies)
Hello,
I want to know how to combine the processing power of given 2 FEDORA machines in LAN.
Can you please tell me the commands,etc used to perform such an operations.Can you please give me the links where I can find more info on this topic. (5 Replies)
Hello all,
I was wondering if someone could either explain or maybe point me to another article somewhere that explains the difference between:
distributed computing
grid computing
parallel computing
I see these terms thrown around a lot in server and cluster environments, but I'd like a... (2 Replies)
Hi forum,
I am aware that on Hp-Superdome technology (Blade Servers) is avaliable while on Solaris GRID technology is the latest in the market. I would like to know if similar high end technology is also available for AIX ? (1 Reply)
Hi everybody:
I want to create a grid file for export to statistical program.
My aid is create a file with both rows, one row are x coordenates and other for y coordenates.
All grid obviousolly are same space.
the form that i want is this:
x=(400000 ........ 600000) and y=(4000000 .......... (1 Reply)
AUTOGRID(1) General Commands Manual 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-covalent interaction energies that various user-specified ligand atom types will
experience around a user-specified target macromolecule. In addition, the electrostatic potential and desolvation free energy grid maps
may also be calculated. The grid maps are stored in plain text files with the extension '.map' and are required by AutoDock 4 to perform
dockings. AutoGrid also outputs a '.xyz' file which describes the spatial extents of the grid box, and an AVS field '.fld' file which
describes the consistent set of atomic affinity grid maps that were calculated together for a given target macromolecule. Note: it is nec-
essary to compute grid maps for all the atom types in the ligand or set of ligands that will be docked, as well as an electrostatic poten-
tial grid map and a desolvation free energy map. For example, if a ligand has an aliphatic carbon and a hydrogen-bond-accepting oxygen
atom, it would be necessary to compute both a 'C' map and an 'OA' map. See http://autodock.scripps.edu/faqs-help/faq/where-do-i-set-the-
autodock-4-force-field-parameters for more information about AutoDock 4 atom types.
The input to AutoGrid is best prepared with the program suite AutoDockTools. There is no way to run autodock4 without a grid.
OPTIONS -o Use old PDBq format (q in columns 55-61)
-u Usage information, also -h on Debian.
-d Increased verbosity of messages to help debugging.
-l logfile
-p filename Specifies Grid Parameter File
EXAMPLE
A range of tests is made available with the AutoGrid sources that can be used as follows:
$ D=/usr/share/doc/autogrid/Tests
$ cd /tmp
$ ln -s $D/AD4_parameters.dat .
$ gunzip -c $D/hsg1_sm.pdbqt.gz > hsg1_sm.pdbqt
$ autogrid4 -p $D/hsg1_no_receptor_types.gpf -l hsg1_no_receptor_types.glg
This command prepares grid map files for each of the AutoDock atom types specified in the grid parameter file (in this case: hsg1_sm.A.map,
hsg1_sm.C.map, hsg1_sm.d.map, hsg1_sm.e.map, hsg1_sm.HD.map, hsg1_sm.NA.map, hsg1_sm.N.map, hsg1_sm.OA.map), the AVS field file
(hsg1_sm.maps.fld) and hsg1_sm.maps.xyz. To perform the cocking calculation, AutoDock should be executed, though it demands a separate
docking parameter file (with extension .dpf). The 'DPF' refers to the grid map files that are necessary to the docking and allows the
setting of other important parameters, such as the search method and how many dockings to perform.
SEE ALSO autodock(1), runAdt(1).
http://autodock.scripps.edu
LICENSE
This software is made available under the terms of the GNU Public License version 2 or later. This implies that this software may be
redistributed if the source is made available. It would however help the future development of the AutoDockSuite if you register yourself
at http://autodock.scripps.edu/downloads.
AUTHOR
The most prominent author of the version 4 of AutoDock is G. Morris <garrett@scripps.edu>. See the AUTHORS file in /usr/share/doc/autogrid
for details.
This manual page was written by Steffen Moeller <moeller@debian.org> and much revised by upstream author Garrett Morris. It was prepared
for the Debian project but may be used by others and is hopefully adopted by the upstream developers.
Juli 23, 2007 AUTOGRID(1)
