| 1 | <html> |
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| 2 | <head> |
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| 3 | <META NAME="Author" CONTENT="Brian H. Toby"> |
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| 4 | <title>EXPGUI</title> |
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| 5 | </head> |
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| 6 | <BODY BGCOLOR="#FFFFFF"> |
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| 7 | |
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| 8 | <A HREF=http://www.ncnr.nist.gov> |
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| 9 | <IMG SRC="http://www.ncnr.nist.gov/images/ncnrtrans.gif" |
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| 10 | alt="Link to NIST Center for Neutron Research home page" |
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| 11 | ALIGN=RIGHT></A> |
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| 12 | <A HREF=http://www.nist.gov> |
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| 13 | <IMG SRC="http://www.ncnr.nist.gov/images/webidblue_2lineright.gif" |
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| 14 | alt="Link to National Institute of Standards & Technology home page" |
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| 15 | ALIGN=LEFT></A> |
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| 16 | <CENTER> |
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| 17 | <A Href="http://www.ncnr.nist.gov/programs/crystallography/software/tclpkgs.html"> |
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| 18 | <IMG SRC="tcltklogo100.gif" |
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| 19 | alt="Link to Tcl/Tk information"> |
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| 20 | </CENTER></A> |
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| 21 | <hr> |
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| 22 | |
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| 23 | <center><h1> |
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| 24 | EXPGUI |
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| 25 | </h1></center> |
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| 26 | <A Href="expgui.html">EXPGUI top</A> |
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| 27 | |
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| 28 | <h3>A.2 Phase Pane</h3> |
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| 29 | <DL><DL> |
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| 30 | The phase pane is used to edit information |
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| 31 | about the structural model(s) found in the experiment |
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| 32 | file. The flags for refining the unit cell and atomic parameters, |
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| 33 | as well as ther damping values, |
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| 34 | can be set on this pane. Note that if a |
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| 35 | single atom is selected using the mouse, the information |
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| 36 | for that atom can be edited. If a group of atoms is |
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| 37 | selected |
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| 38 | <A href="expgui.html#mouseactions">(see Mouse Actions)</A> |
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| 39 | the damping and refinement flags |
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| 40 | for all the selected atoms are changed. |
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| 41 | <P> |
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| 42 | If the EXPTOOL program |
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| 43 | <A href="expgui.html#installation">(see the installation instructions)</A> |
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| 44 | is installed, buttons for adding phases and atoms will |
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| 45 | appear on this pane, as seen below. If the |
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| 46 | program is not properly installed, no errors occur, but the buttons |
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| 47 | do not appear. |
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| 48 | <P> |
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| 49 | Note that the order that atoms appear in this pane is |
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| 50 | determined by the |
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| 51 | <a href="expguic.html#sortatoms">"Sort Atoms by"</a> option |
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| 52 | in the Options Menu. The parameter used for sorting is designated |
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| 53 | with a "*" on the title line above the atoms. |
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| 54 | Clicking on this title line rotates through the sorting modes. |
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| 55 | </DL></DL> |
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| 56 | <img SRC="2.gif" align=TEXTTOP> |
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| 57 | <P> |
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| 58 | <img SRC="2a.gif" align=LEFT> |
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| 59 | If one or more atoms have been selected |
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| 60 | <A href="expgui.html#mouseactions">(see Mouse Actions)</A>, it is possible |
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| 61 | to transform the atom coordinates, globally set occupancy or Uiso (Uequiv) |
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| 62 | values for the selected atoms, or erase the selected atoms, by pressing the |
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| 63 | "Xform atom(s)" button. It is also possible to transform the selected atoms |
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| 64 | from isotropic to anisotropic, or the reverse. |
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| 65 | Note that no changes are actually made, until the |
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| 66 | "Transform Coordinates", "Set Occupancies",... buttons are pressed. |
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| 67 | |
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| 68 | <br clear=all> |
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| 69 | <hr> |
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| 70 | <A Href="expgui.html">EXPGUI top</A> |
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| 71 | |
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| 72 | <p><a href="http://www.ncnr.nist.gov/staff/toby/">Brian Toby</a> (<a href="mailto:brian.toby@nist.gov">Brian.Toby@NIST.GOV</a>) |
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| 73 | <br> |
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| 74 | $Revision: 259 $ $Date: 2009-12-04 23:03:04 +0000 (Fri, 04 Dec 2009) $ |
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| 75 | </body> |
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| 76 | </html> |
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