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Building and Displaying Molecules

Submitting a structure to a calculation can be expensive in terms of human time and effort. HyperChem lets you build and display molecules easily. Since HyperChem contains a graphical interface, you can monitor the construction of molecules. [Pg.8]

HyperChem contains a database of amino and nucleic acid residues so you can quickly build polymers containing these subunits. You can also read in structures in files from standard databases, such as the Brookhaven Protein Data Bank (see iht HyperChem Reference Manual). [Pg.8]


WebLab MedChem Explorer (we tested Version 1.6) is a drug refinement package designed for researchers who do not specialize in computational chemistry. It works as a chent server system so that all functionality is available from a PC. WebLab ViewerPro integrates with MedChem Explorer for molecule building and display. A Web-enabled system is then used to submit the calculations to a server. [Pg.355]

GaussView (we used Version 2.08) is a graphic interface for use with the Gaussian ah initio program. It can be used to build molecules, set up the options in the input hie, run a calculation, and display results. GaussView uses the molecule builder that was written by SemiChem, but has screens for setting up calculations that are different from those in the AMPAC GUI sold by SemiChem. [Pg.349]

The program is used by first building the target molecule. It then generates a list of possible precursors. The user can choose which precursor to use and then obtain a list of precursors to it. The reaction name and conditions can also be displayed. Once a satisfactory synthesis route is found, it can be printed without all the other possible precursors included. The drawing mode worked well and the documentation was well written. [Pg.358]

A few catalysts display activity and selectivity levels sufficiently high for application in organic synthesis. Their utilization in the synthesis of a number of chiral building blocks and target molecules is emerging as summarized in the second part of this chapter. [Pg.255]

Macintosh interaaive molecular display and design for small molecule and macromolecule building and animation. Macintosh. [Pg.398]

From the introduction chapter of the book and my short analysis displayed above, I anticipate that quantum dynamics is not only an exciting subject currently, but also has an enormous future potential. And, since molecules are the building blocks of everyday s life, molecular quantum dynamics will have a growing portion in the quanmm dynamics world. [Pg.280]

The ball and wire display is used for model building Although it is convenient for this purpose other model displays show three dimensional molecular structure more clearly and may be preferred The space filling display is unique m that it portrays a molecule as a set of atom centered spheres The individual sphere radii are taken from experi mental data and roughly correspond to the size of atomic electron clouds Thus the space filling display attempts to show how much space a molecule takes up... [Pg.1260]

REACCS is organized iato six operational modes MAIN and BUILD, which are used to draw molecular stmctures, build reactions, and constmct graphic queries and SEARCH, VIEWLIST, PLOT, and EORMS, which are used to create custom forms to display data associated with reactions and molecules. Each of the modes provides a characteristic menu and a set of options, which normally perform tasks that relate to the general function of that mode. [Pg.125]


See other pages where Building and Displaying Molecules is mentioned: [Pg.8]    [Pg.8]    [Pg.293]    [Pg.293]    [Pg.8]    [Pg.8]    [Pg.293]    [Pg.293]    [Pg.351]    [Pg.355]    [Pg.217]    [Pg.351]    [Pg.84]    [Pg.160]    [Pg.338]    [Pg.23]    [Pg.304]    [Pg.411]    [Pg.2672]    [Pg.243]    [Pg.307]    [Pg.27]    [Pg.241]    [Pg.164]    [Pg.789]    [Pg.61]    [Pg.811]    [Pg.39]    [Pg.194]    [Pg.2425]    [Pg.34]    [Pg.3150]    [Pg.3377]    [Pg.331]    [Pg.351]    [Pg.506]    [Pg.1263]    [Pg.1263]    [Pg.525]   


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Molecule building

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