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Dialogues: con't |
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Databases |
A search database dialogue is available, allowing the user to specify
details of the query as well as the database(s) is to be searched. |
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Spreadsheet |
A spreadsheet is available to collect and analyze calculated quantities
on lists of molecules. Convenient tools for totals, averages, Boltzmann
averages, and linear regression analysis are available. Spreadsheet
data may also be copied to Microsoft® Excel® and other productivity
tools. |
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Graphical Displays: |
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Surfaces |
Calculated isosurfaces for electron density, accessible electron
density, exposed electrostatic potential and highest occupied and
lowest unoccupied molecular orbitals. Electrostatic potential maps,
local ionization potential maps. |
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Other GUI Features: |
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Import/Export |
Trident imports a number of commonly used molecule file types
including Spartan files, MDL SD, SCK, and TGF files, SYBYL MOL and
MOL2 files, MacroModel files, PDB files, xyz and smiles files. File
export also available in multiple file types including JPG, BMP, and
PNG for graphical images. |
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Clipboard |
Copy/Paste features are available throughout Trident, paste
features are available to standard Windows® applications from
the Spartan GUI or Spreadsheet. |
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Custom Database Generation |
Trident can create custom databases of proprietary molecules
using the Wavefunction SMP format, allowing for these databases to
be searched in tandem or in the place of the databases provided with
Trident. |
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