Free chemistry song software for linux

Kemistry is a collection of chemical applications for the K Desktop Environment (release 3.x).

Originally the applications were distributed in a single source package, but currently every application is distributed in a standalone package. The available applications are

* KMolCalc - molecular weight and elemental composition calculator
* KemBabel - a file conversion program based on Open Babel

Chemistry::Mol is a molecule object toolkit.

SYNOPSIS

use Chemistry::Mol;

$mol = Chemistry::Mol->new(id => "mol_id", name => "my molecule");
$c = $mol->new_atom(symbol => "C", coords => [0,0,0]);
$o = $mol->new_atom(symbol => "O", coords => [0,0,1.23]);
$mol->new_bond(atoms => [$c, $o], order => 3);

print $mol->print;

This package, along with Chemistry::Atom and Chemistry::Bond, includes basic objects and methods to describe molecules.
The core methods try not to enforce a particular convention. This means that only a minimal set of attributes is provided by default, and some attributes have very loosely defined meaning.

This is because each program and file type has different idea of what each concept (such as bond and atom type) means. Bonds are defined as a list of atoms (typically two) with an arbitrary type. Atoms are defined by a symbol and a Z, and may have 3D and internal coordinates (2D coming soon).

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.

Chemistry::Artificial::Graphics is a graphic plot for artificial with database support.

SYNOPSIS

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

my $dbname = $ARGV[0];
my $chaname = $ARGV[1];
my $file = $ARGV[2];
my $mode = $ARGV[3];

if (scalar(@ARGV)!=4)
{ print "Error in parameter number n";
print "perl chaplot.pl DB_NAME
CHA_NAME FILE_NAME MODE (svg | svg_static | text)n";
exit;
}
my $db1 =
Chemistry::SQL->new(db_host=>"127.0.0.1",db_user=>"root",db_port=>"3306",sb_pwd=>"",db_name=>"$dbname",db_driver=>"mysql");
$db1->connect_db;
my $pcha = Chemistry::Artificial::Graphics->new(db => $db1, width=> "800",height=>"600",radius=> "10",distanceh=>"200",file=> $file,
mode=> $mode);
$pcha->ch_plot("$chaname");

This package, along with Chemistry::SQL, includes all the necessary to generate graphics of the artificial chemistry in database.

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.

M3U-Playlist Manager is an administration of loose m3u-playlists in tree structure. Simple mouse-click to add or remove a song from playlist with currently running Song in the Player.

And other interesting functions. Supporting only XMMS at the moment.

CCFlauncher is the meta-tool for starting and joining a CCF collaborative computing session. With CCFlauncher you can invite your colleagues/friends to join you in a shared X windows virtual desktop with multiparty audio conferencing, white board, and file sharing in just a few mouse clicks. In this setting, participants interact with each other, simultaneously access and operate computer applications, refer to global data repositories or archives, collectively create and manipulate documents or other artifacts, perform computational transformations, and conduct a number of other activities via telepresence. Research issues addressed in this project include problem solving environments and methodologies for laboratory and instrument-based scientific disciplines, and computer science issues in heterogeneous distributed systems. New approaches are being investigated and developed for fast multiway communication, robust geographically distributed data management methodologies, high-performance computational transforms inlined within collaboration sessions, and related auxiliary issues such as active documents, security, archival storage, and experiment management and control.

The main goal of CCF is to enable the construction of efficient and flexible collaborations. Although we expect that CCF will be useful in a number of scenarios, a guiding principle in its design was to identify and meet the needs of natural science investigators with a diverse set of computing, instrument interfacing, and collaboration requirements. Thus, the primary target domain for CCF is collaborative research in chemistry, physics, and biochemistry, and closely related areas. Research methodology in laboratory and instrument based sciences is increasingly dependent upon computation, interaction, visualization, and data storage/retrieval. The CCF project is investigating and developing innovative enabling technologies to support collaborative, distributed, computer-based problem solving in the natural sciences. The goal is to evolve a virtual environment for distributed computing that integrally supports human AV communication, high performance heterogeneous computing, and distributed data management facilities. Computational transforms, instrument interfacing, data referral, visualization, and collaborative work in chemistry, physics, and biomedical fields will guide the development of methodologies and software tools to facilitate collaborative research.