Free chemistry for dummies software for linux

Chemistry::SQL is an access database functions module.

SYNOPSIS

use strict;
use Chemistry::SQL;
use Chemistry::Artificial::SQL;

my $db_name = $ARGV[0];
my $file = $ARGV[1];

my $db1 = Chemistry::SQL::new(db_host=>"127.0.0.1",db_user=>"root",db_port=>"3306",db_pwd=>"",
db_name=>$db_name,db_driver=>"mysql");
if ($db1->db_exist)
{ $db1->connect_db;
$db1->del_tables;
$db1->create_tables_mysql;
$db1->inscomp_from_file("$file");
}
else
{
$db1->create_db;
$db1->connect_db;
$db1->create_tables_mysql;
$db1->inscomp_from_file("$file");
}
# Reaction Insertion

my $qart = Chemistry::Artificial::SQL::new($db1);
my $qr =$qart->q_reaccion(C=CC=C.C=C>>C1=CCCCC1,smiles);
$db1->reactionsert($qr,"","0");

This package provides the necessary functions to interact with the database. The methods implemented in this module are oriented to give users control of the database without knowing how to use SQL queries.

RogueScanner project is an open-source vulnerability management tool that is used to gain greater network visibility to enable you to quickly identify and remove rogue wireless devices that may provide a back door to access your critical data and infrastructure.
Considering that rogue access points and peers represent a major threat to data integrity, RogueScanner is a valuable tool that you can start using today at no cost.
More than 300 companies manufacture access points, and there are more than 10,000 different models of network infrastructure.
Companies thus face a major challenge in maintaining a system to track and identify all potential rogue wireless devices and in continually scanning the network to identify them. To address this challenge, Network Chemistry has made an open-source product available to help organizations begin to immediately scan their networks.
RogueScanner is available for use at no charge by organizations looking for a tool focused on device identification and rogue detection. RogueScanner leverages the Collaborative Device Classification system to automatically lookup and identify the device type and its identity in real time.
Enhancements:
- Many scanning and classification improvements.
- Support has been added for parsing routes under from IOS CLI.
- Support has been added for dumping Cisco device CDP cache via both SNMP and CLI (IOS and CatOS).
- Support has been added for sniffing CDP broadcasts off the wire.
- CDP information is now submitted to the classification server and used for classification.
- FTP (21/TCP) has been added to the list of ports that are probed if open.

Chemistry Development Kit classes are Java utitility classes for ChemoInformatics and Computational chemistry, written in Java. They are developed constantly developed parallel to other projects that make use of them.
They are a complete re-write of the CompChem classes that were the basis of JChemPaint, a Java Editor for 2D chemical structures, and of JMDraw, a Java package for the graphical layout of 2D chemical structures.
The CDK project was started in September 2000 to replace the CompChem libraries used by JChemPaint, Jmol and SENECA. It no longer is in its initial stage, but is slowly getting a solid state.
The people involved in setting up the project are Christoph Steinbeck then at the Chemoinformatics Group at the Max Planck Institute of Chemical Ecology in Jena, as well as Egon Willighagen from the University of Nijmegen, The Netherlands, who is also involved with JChemPaint and many other Java Chemoinformatics programs, and Dan Gezelter from Notre Dame University, South Bend, USA, the initiator of Jmol, a 3D viewer and analyzer for molecules .
Now, the rewrite of these CompChem/CDK library classes do somehow effect all of our projects. All of our code relies to some extend on the so-called CompChem classes for computational chemistry.
Christoph Steinbeck started this chemistry library when he started programming SENECA, a system for Computer Assisted Structure Elucidation. It turned out that some of the code had design flaws that prevented others, like the authors of (Jmol) to use it.
Enhancements:
- This release consists of mostly some bugfixes, but also solves a few Java 1.4.2 compile problems and adds more functionality to the SMARTS parser.

Chemtool project is a small program for drawing chemical structures on Linux and Unix systems using the GTK toolkit under X11.
Chemtool relies on transfig by Brian Smith for postscript printing and exporting files in PicTeX and EPS formats. Its companion program, XFig, is recommended for enhancing the output of chemtool, and for creation of 2D diagrams and schematics in general.
Both are included with most distributions of Linux, and are available through a number of websites including www.xfig.org. If you want to import chemtool drawings into word processing programs other than LaTeX, you will probably want to add a preview bitmap to them, as neither StarOffice/OpenOffice nor that software from Redmond seem to be able to display postscript inserts on screen without them.
For this purpose, using either ps2epsi, which comes with ghostscript, or epstool, a part of gsview is recommended. Since chemtool-1.6, this option is supported directly (through the equivalent function offered by recent versions of transfig).
Chemtool was originally written by Thomas Volk, then a student of chemistry and biology at the university of Ulm, Germany. His version, which was described in an article in the german periodical LinuxMagazin, was using plain X11.
The bond types available in chemtool are:
- a single bond
- a double bond (with one line shorter than the other)
- a double bond (having the shorter line on the opposite side)
- a centered double bond
- a triple bond (with the flanking lines shorter than the center)
- a wedge-shaped bond
- a dashed wedge-shaped bond
- a wavy line
- a dashed wide line
- a half arrow
- an arrow
- a wide bond
- a circle
- a dotted line
- a single bond that cuts out a segment from any bond it crosses
- a triple bond (with equal line lengths)
- a quadruple bond
Enhancements:
- PNG export, kprinter support, and a few new template structures were added.
- Screen rendering of complex labels was improved.
- Several problems with text input in UTF8-enabled locales were fixed.
- Arrowhead size in EPS output and the appearance of arrowheads, superscripts, and national characters in SVG output were fixed.

phptelemeter script can read the webpages for the webbased quota monitor for the Belgian ISP Telenet.

These pages contain both the actual status (which is refreshed nightly), and a 30-day shifting window history. This history is what makes up the used quota.

Usage

First off, to actually run this script you must tell it where the php binary is. Edit phptelemeter.php and modify the first line to #!/path/to/php4 -q. On Debian Sid, this is /usr/bin/php4.

To create the initial configuration file, just run the script.

It will notice the absence of ~/.phptelemeterrc, and create a dummy version. Next, configure this file (usually youll just want to change username and password to the information for your account), and rerun phptelemeter - youll get the output you want instantly.

Command line options

There are several options:

-d, --daily - show the 30day overview (overrides config)
-g, --graph - shows the usage graph (overrides config)
-r, --remaining - show the remaining quota (overrides config)
-D, --debug - shows some debugging stuff
-f, --file-output - dumps the output in files instead on the stdout (overrides config)
-n, --new-config - writes a new dummy config file to the current directory
-V, --version - shows the version and exits

kfile_chemical is a set of kfile plugins for chemistry documents. It has support for XYZ, PDB, MDL mol/sd, Mol2, CML, ShelX, SMILES and CIF files.
kfile_chemical is currently in alpha stage: 1.0 will be alpha too; it will be feature complete, i.e. proving plugins kfile plugins for all files mentioned at the official chemical mime page (and a few more).
Version 2.0 will be beta, and feature a more organized set of extracted pieces of information.
Version 3.0 will be beta too, and mime magic, which is a method to detect the mime type not from the file extension, but from the content.
Verion 4.0 will be the first stable release and is aimed to be ready with Kubuntu 6.04 and KDE 4.0.
Enhancements:
- This release adds support for chemical-mime-data, thus synchronizing with the main MIME type library for chemical data.
- It also fixes QChar / QString conversion, the FSF address, and the contact email address.