User:Dorabarna/sandbox

Marvin is a collection of chemical drawing and visualizing tools developed by the ChemAxon cheminformatics company. The Marvin package contains MarvinSketch, a chemical editor, MarvinView, a molecule viewer for single and multiple chemical structres, and MarvinSpace, a 3D viewer for small ligands or even macromolecules. Elements of the Marvin package are available on Windows, Macintosh and Linux systems.

Main chemical features in Marvin

 * Conversion between a wide selection of popular chemical file formats with the help of Molconverter;
 * Name to Structure conversion;
 * Structure and reaction query features for database searching;
 * Checking and fixing erroneous features with the help of Structurechecker;
 * Using the built-in Calculator plugins, chemical properties can calculated for single molecules as well as for a large set of structures.
 * Enumeration of Markush structures;
 * The list of features can be enriched by adding Services (third-party calculations) to Marvin.

MarvinSketch
MarvinSketch, the chemical editor in the Marvin package, contains features for drawing molecules, reactions, and queries. There are several atom and bond properties, built-in as well as user defined templates and functional groups integrated into MarvinSketch along with predefined style files for a list of scientific journals.

MarvinView
MarvinView is a table viewer of 2D and 3D structure, reactions and the data associated with them. Complete chemical databases can be visualized along with other attributes, such as SMILES, IUPAC name and various chemical descriptors (logP, pKa...) in matrix or spreadsheet format.

MarvinSpace
MarvinSpace is a high-performance 3D visualization and mainpulation tool for ligands (small molecules) and macromolecules. It has the standard feature set required for 3D chemical display, such secondary structure for proteins and display of standard molecule surfaces. Creation of pharmacophore models as wells as rigid and flexible alignments can be also carried out with MarvinSpace.

File formats
The native file format of Marvin is MRV (Marvin Document format), an XML based. In addition, Marvin can handle MOL, SDF, SMILES, CDX, SKC, XYZ file formats as well among others.