Free chemistry software for linux

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.

Whats New in This Release:

+ Reserved VLANs (1000 < VLAN < 1025) on Cisco devices are not queried.
+ Capture packets to trace.pcap and perform a hexdump of them in the log file
if DEBUG_PACKET is set (debug=0x01 or better).
+ Promiscuous mode testing is disabled unless ENABLE_SCAN_PROMISC is defined.
+ The switch/network scanning interval was bumped up to 24 hours.
+ Attribute data in the EvidenceMap wasnt being printed out correctly (always showed
up as "true") when issuing "device detail" commands in the CLI.
+ Ignore MACs in the bridge table that arent "learned" when querying switches.
+ *TAnalysisManager::LookupOrCreateDevice() will now refuse to create devices outside
"home_net" ranges, thus the IPs wont be scanned even if they are passively observed
on the local network.
+ Ignore our MAC address if a switch reports it to us.
+ Log timestamps are now in GMT.
+ Prevent duplicates in the "udp_ports" evidence by using AddEvidence() instead of
inserting into the EvidenceMap directly.
+ Manually invoke Rubys garbage collector after scanning a switch/router.
+ Added "packet queue size" CLI command to show how many packets are in the
AnalysisManagers packet queue.
+ If a device fails to be classified the classification will be retried automatically
in one minute.
+ All communication with the classification server is performed in a separate thread.
+ Keep ARP scanning from starving other threads for CPU time by introducing a delay
in addition to any that is added by bandwidth throttling.
+ Replaced internal ARP and routing table on WIN32 systems with functions from the
IPHelper API.
+ Added "device list size" command to show how many devices have been found.
+ Add read community strings from configured infrastructure devices to the list
of strings used when probing unknown devices.
+ Discard deferred scans if another scan of the same type is already deferred for
a device.
+ Added reporting of DHCP data.
+ If no scans are pending against a device, but a new port is found open then
submit the devices evidence.
+ Devices are re-scanned whenever a re-occuring ARP/Ping scan is launched.
+ Added "deferred list" CLI command to show scans that have been deferred.
+ Added "sniffer status" CLI command to report the number of packets that
have been received and dropped.
+ If we discover the IP of a device that we only knew about the MAC address for,
then issue scans against it.
+ If we see the MAC address associated with an IP change, then re-scan it since
its likely to be a different device.

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).

Gnome Chemistry Utils software provides C++ classes and Gtk+-2 widgets related to chemistry. They are used in both Gnome Crystal and GChemPaint.

To compile and use the Gnome Chemistry Utils, you need libglade-2, and GtkGLExt, and their own dependencies. Everything except GtkGLExt is available from the Gnome repository or one of its mirrors.

The GtkChem3DViewer widget also needs Gnome-vfs and OpenBabel to be built.

GChemistry Utils are distributed under the LGPL license.

Gnome Chemistry Utils are in an early development stage.

Three widgets:

- a periodic table,
- a crystal structure viewer,
- a 3D molecular structure viewer.

The last widget is also accesible as a Bonobo control.

The Gnome Chemistry Utils are the basis for the development of both GChemPaint and Gnome Crystal

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.

GenChemLab is an OpenGL-based application intended to simulate several common general chemistry exercises. It is meant to be used to help students prepare for actual lab experience. It could also be used in cases where laboratory facilites are not accessible, for instance in K-12 schools or home schooling.

At present, supported experiments include titration, calorimetry, freezing point depression, vapor pressure, and spectrophotometry.

Gnome Crystal project is a light model visualizer for crystal structures.

Gnome-1 version uses Gtk+, Gnome, libglade, gettext, OpenGL(or Mesa) and GtkGLArea.

Gnome-2 version uses standard Gnome-2 libraries and the Gnome Chemistry Utils and its dependencies.

License is GPL.

GNU polyxmass is mass spectrometric software suite for (bio)-polymers.

GNU polyxmass features an integrated mass spectrometry framework where users are able to define brand new polymer chemistries (within the polyxdef module), and use these definitions in order to make simple mass calculations (within the polyxcalc module) or perform complex simulations of polymer chemistry with related mass data computations (within the polyxedit module).

The framework allows full customization of every aspect of the polymer chemistry being defined, and of the way the polymer sequences are graphically displayed. This program was formerly called "polyXmass".

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