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(1) Select (2) Depress Tutorial for Edit model tool

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Dialog for Model Edit Lines without a left-justified mnemonic get discarded upon re-read Output fields. Can be omitted from input or entered wrong. Space-group name Cell edges Cell angles Atom type Atom coordinates Editable in free format Numeric data can be entered as fractions of integers or reals. Reals can use decimal or engineering notation. Flagging of short interatomic distances Example: -2.137, 7/23, 2D-1, 8.27E-3, 7.45/12.7D2 are valid expressions for any numerical data All numerical values in the Toolkit carry 64 bits, i.e. about 14 decimal digits. All digits typed in are interpreted up to that accuracy. Used to bring constrained parameters to their constrained values like 1/3.

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Add a sodium atom at ½ ½ 0 Left-justified mnemonic Free format. Only the atom type and coordinates are needed. (1) Type (2) Depress To delete an atom, cut it and depress UPDATE. Depressing UPDATE implements the change Depressing next task returns to modeling dialog without implementing changes

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Structures can be imported from electronic journals in e.g. pdf format by cut-and-paste followed by slight editing to add the mnemonics. All non-ASCII characters get discarded, and thus ignored upon UPDATE. There is a special tool to read CIF files on the More Tools dialog, but even incorrectly formatted CIF files can still be imported using the Edit model dialog.

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End of tutorial for Edit model

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Copyright © 2012 Pearson Education, Inc. Publishing as Pearson Addison-Wesley C H A P T E R 2 Input, Processing, and Output.

Copyright © 2012 Pearson Education, Inc. Publishing as Pearson Addison-Wesley C H A P T E R 2 Input, Processing, and Output.

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