Interactive graphics

In the majority of practical finite element simulations the mesh generation is conducted in conjunction with an interactive graphics tool to allow feedback and continuous monitoring of the computational grid. 

An important approach to the graphic representation of molecules is the use of a connection table. A connection table is a data base that stores the available bond types and hybridizations for individual atoms. Using the chemical formula and the connection table, molecular stmctures may be generated through interactive graphics in a menu-driven environment (31—33) or by using a linear input of code words (34,35). The connection table approach may be carried to the next step, computer-aided molecular design (CAMD) (36). 

A future goal for the integration of graphics and process design simulators is to be able to use an interactive graphics program to prepare the input to the process simulator. This capabiHty would allow tme on-line process modification, flow-sheet optimization, and process optimization, and is likely to be one of the key developments in this field in the 1990s (99). 

The creation and analysis of process flow sheets has become much easier because of the availabihty of automated systems to draw and revise them. The goal of the use of the flow sheet as the input for process simulation and for process control is likely to be achieved reasonably soon. The use of interactive graphic displays for process monitoring and control is pervasive today. 

The principal shortcoming with SCREENS is the lack of graphical displays. Interactive graphics that enable plume tracking are invaluable in assessing potential environmental impacts and public health risks from episodic releases. There are a... 

DDLab is an interactive graphics program for studying many different kinds of discrete dynamical systems. Arbitrary architectures can be defined, ranging from Id, 2d or 3d CA to random Boolean networks. 

In fact, no model can represent every aspect of an actual production process. Accordingly, the. scheduler must have some flexibility to modify the schedule proposed by the optimization algorithm, based on experience that is gained al.so at the realization of the optimal schedule. This leads to evolutionary improvement strategies starting from approximate optimization techniques. An interactive graphical presentation of the plant should enable quick intervention. 

We have found that data interpretation other than simple plotting from texture studies requires a sophisticated array of software tools. These include least squares curve resolving, non-linear least squares fitting, 2-dimensional data smoothing, numerical quadrature, and high-speed interactive graphics, to mention only a few. 

Figure 2-4. Matrix transposition via Excels interactive graphical user interface...

In a recent study, Hamodrakas et al. (25) using proton NMR measurements and a sophisticated interactive graphics facility proposed two possible modes of binding for 4 -nitrophenyl a-D-mannopyranoside to ConA. These two orientations differ from the two favoured orientations for aMeMan proposed in the present study. These authors fitted the ligand in the sugar binding site... 

The reason for this is because we would like to offer our users the opportunity not just to understand the method and the coded logic, but also to be able to enjoy the 3D interactive graphics, the digital videos, the color images, and most importantly the active code spreadsheets. Along with any other imaginable visualization, this can be executed and experimented with using their own data. 

D interactive graphics that you can manipulate in your browser. 

Feldman, R. J., "Interactive Graphic Chemical Structure Searching," in Computer Representation and Manipulation of Chemical Information, ed. W. T. Wipke, John Wiley, N.Y., 1974. 

Ravel, B., and Newville, M. (2005). ATHENA and ARTEMIS interactive graphical data analysis using IFEFFIT. Phys. Scripta 115,1007-1010. 

Tektronix equipment, and functioning for any terminal that has 4010 emulation. The cost of this system can run from as low as a few thousand dollars for some minimal capability to thirty thousand for a full blown software system. The features of this package include software libraries as well as interactive graphics and drawing routines. 

Crystal-structure determinations provide atomic coordinates of proteins, nucleic acids, and viruses. Computational studies of these data — using both purely-numerical techniques and interactive graphics — seek the principles of structure, dynamics, function and evolution of living systems at the molecular level. 

Interactive graphics systems. The increased power of host computers and display devices can easily overwhelm the human participant in the interactive execution of a program. 

The program for obtaining three-dimensional models of molecules and displaying them on a screen is written in FORTRAN on a PDP 11 /45 minicomputer. The interactive graphics system is a DEC GT 44. 

It is always possible to build a model of a molecule manually using interactive graphics either from scratch or based on a homologous molecule, but this method has not been used much in recent years by NMR spectrosco-pists. First, the sheer number of NMR restraints in a modern data set means that it will be technically difficult to produce a satisfactory structure. Second, the method relies on the ability of the investigator and will introduce any preconceptions of what the molecule should look like. Finally, the sampling properties of such an approach are almost nonexistent. 

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