Materials Studio Datasheet Exceptional graph- ics capabilities Materials Visualizer

Materials Visualizer provides all of the tools that are Modeling, analysis, required to construct graphical models of molecules, and visualization crystalline materials, and polymers.You can manip- tools for the chem- ulate, view, and analyze these models. Materials icals and materials Visualizer also handles graph, tabular, and textual based industries data and provides the software infrastructure and analysis tools to support the full range of Materials Studio™ products. Materials Visualizer is the core product of the Materials Studio system, which is a software environ- Increase your ment designed to support the materials modeling needs ▲ Building and editing tools enable you to construct, understanding of of the chemicals and materials-based industries. visualize, and manipulate structures of crystalline solids. materials and Materials Visualizer is also improve your com- a powerful new teaching plug any Materials Studio product. munication of tool helps academic Materials Visualizer offers a versatile and com- chemical informa- researchers. Materials pletely comprehensive modeling and visualization sys- tion and concepts Studio brings science vali- tem. You can increase your understanding of materials dated by leading laborato- and improve your communication of chemical infor- ries around the world to mation; visualize and model structures from chemical your desktop PC. databases; build your own molecules and materials Materials Visualizer with fast, interactive sketching, building, and editing contains the essential mod- tools; calculate and display key structural parameters; eling functionality required display the results of calculations – animated dynamics to support computational trajectories, graph data, and molecular models; anno- materials science. It can help you understand properties tate models for pictures and diagrams and produce or processes related to molecules and materials. exceptionally high quality hard-copy output. Materials Visualizer allows you to see models of the Materials Visualizer can run on any PC on your systems you are studying on your PC screen, increasing network, allowing scientists to use it when and where your understanding by allowing you to visualize, they need it. Whether used to run a range of Materials manipulate, and analyze the models.You can also make Studio modules or as a stand-alone modeling system, better use of access to structural data, improve Materials Visualizer focuses computational and graph- your presentation of chemical information, and com- ics power on the solution of scientific problems. municate problems and solutions to your colleagues Features very easily. Graphical User Interface What Materials Visualizer Can Do • Easy-to-use user interface conforming to Microsoft® stan- Materials Visualizer provides modeling, analysis, and dards – runs under Windows® 98,Me,NT4 or 2000 visualization tools. Combined with its clear and • Comprehensive, context-sensitive, and fully search- intuitive graphical user interface, Materials Visualizer able on-line help offers a high-quality environment into which you can • Multiple undo/redo

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• Project Explorer offers fast, structured access to • Versatile bond calculation tools project data in a standard file explorer view • Symmetry finder for non-periodic systems • Module Explorer offers instant access to other • Includes extensive library of molecular, crystalline, Materials Studio products and amorphous structures terials • Tools to manage and monitor calculations on remote Specialist Polymer Building Tools or local servers support use of the Visualizer with • Polymer builder enables construction of homopoly- other Materials Studio products mers, block, and random copolymers, or dendrimers Display and Communication • Comprehensive library of repeat units • Display and manipulation of high quality 3-D • Tools to enable user-defined repeat units graphical models of materials and molecular struc- • Branch generation tool ture (details below) Specialist Crystal, Surface, and Layer Building Tools • Display and manipulation of results as 1-D and 2-D • Crystal builder enables construction of periodic

V graph data systems based on lattice parameters, atom positions, • Display of model and results data in textual and and symmetry isualiz tabular formats • Input and editing of symmetry information includ- • Cut-copy-paste to other PC applications for ing comprehensive space-group information structural, graphical, tabular, and textual data • Symmetry finder analyzes periodic models and • File communication with in-house and commercial returns symmetry details structure databases • Easy to use supercell creation tool • Supports a wide range of industry-standard file for- • Versatile surface builder enables easy surface con- mats for structural, graphical, textual, and experi- struction from non-periodic structures using plane mental data: group symmetry, or crystals using a cleave method Structure files: xsd (native), msi, car/mdf, cif, • Surface builder can create surfaces with vacuum slabs er mol, sdf, sd, mdl, skc, arc/mdf, his/mdf, from crystal structures trj/msi, .res/.ins (Shelx), pdb, xyz • Layer builder creates layered structures from either Chart files: xcd (native) csv tbl crystalline or amorphous materials, or combinations Table/ Grid files: xgd (native) csv tbl of both Text files: txt htm General Visualization Tools Building and Editing Molecular Models • Wide range of display styles - line, stick, ball and • Fast creation of molecular models using a unique stick, space filling spheres (CPK), polyhedra 3-D sketcher • Real-time mouse rotation and scaling of models • Automatic hydrogen addition tool for quick molecu- • Option of orthogonal or perspective views of models lar sketching • Full customization of the colors of objects in the • Fragment sketcher allows fast creation of complex model and of the background color molecules such as organometallic compounds. • Choice of a wide range of background textures and Includes comprehensive fragment library and tools to images, and the ability to add user-created bitmaps as enable user-defined fragments background images • Clean utility determines good molecular geometries • Control over rendering quality, including speed-up of • Easy editing and input of coordinates and model manipulation by 'fast render on move' atom properties • Control over the number of unit cells displayed for a • User-definition and editing of bond order and periodic model (including non-integer ranges) hybridization • Display of thermal ellipsoids • Display and editing of the properties of all elements, • High quality, flexible display of volumetric data from including a periodic table viewer quantum and other calculations (of charge density, • Simple cut, copy, and paste of models and parts potentials, orbitals...) of models • Display of surface data from quantum and other calculations (of charge density, potentials, orbitals...) System Details • Control over lighting of the model, including multiple Materials Studio is oper- light sources and the ability to alter color and position ated through the • Optional display and labeling of axis and 3-D or Materials Studio environ- 2-D lattices ment on Windows 98, Me, Model Measurement and Analysis NT, and 2000. • Measurement and display of distances, angles, and torsions – updated during structure manipulation • Calculation and display of close contacts and hydrogen bonds • Context-sensitive properties explorer provides text display/ of the properties of atoms and other objects • Animation of trajectory files (for example, from molecular dynamics) • Reaction preview and atom matching tools for use as input to transition state searches • Vibrational analysis tool for displaying and animating normal modes • Labeling of molecular models Presentation ▲ Materials Studio products include Amorphous Cell (top) for polymer simula- • Windows-standard page setup and output to tion and Reflex (above) for powder diffrac- printer tion simulation and analysis. Materials • Export of bitmap image creates high quality graph- Visualizer provides the infrastructure for these products, enabling researchers to set ics for reports and presentations up calculations and view results as molecu- • Export of trajectory files as video files in lar models, textual information, or graphs. Microsoft .avi format Accelrys Corporate Headquarters Accelrys Asia Headquarters Accelrys European Headquarters The Quorum, Barnwell Road 9685 Scranton Road Nakarin - Auto Building SF, 230/250 Cambridge, CB RE, UK San Diego, CA 92121-3752, USA 2-8-4 Shinkawa, 5 8 A subsidiary of Pharmacopeia Inc. Tel: MS-DS-006-A Tel: +1 858 799 5000 Chuo-ku, Tokyo 104-0003, Japan +44 1223 413300 Tel: +81 3 3206 3575