| 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 Wish List</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 Wish List<BR> |
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| 25 | New Features In Progress, Planned, or Requested |
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| 26 | </h1></center> |
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| 27 | <P> |
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| 28 | See the |
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| 29 | <A HREF="expgui.html">EXPGUI documentation</A> for a description of |
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| 30 | the current features. |
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| 31 | |
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| 32 | <H2>In Progress</H2><DL> |
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| 33 | |
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| 34 | <DT> |
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| 35 | More coordinate import routines |
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| 36 | <DD> |
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| 37 | A CIF import routine is being worked on. |
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| 38 | |
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| 39 | |
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| 40 | </DL><H2>Perhaps someday</H2><DL> |
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| 41 | <DT> |
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| 42 | Fixed background |
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| 43 | <DD> |
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| 44 | I do not like fixed background use, but agree that fixed points are useful |
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| 45 | for starting a fit. I would like to have a routine that fits a |
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| 46 | Chebeshev polynomial to a set of fixed points input by a user. |
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| 47 | |
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| 48 | <DT> |
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| 49 | Export to Platon |
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| 50 | <DD> |
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| 51 | The platon viewer runs in UNIX and Windows |
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| 52 | (http://www.ccp14.ac.uk/tutorial/platon/). It would be nice to be able to |
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| 53 | export in the correct format and perhaps even fork the viewer. |
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| 54 | Recommended by Lachlan Cranswick. |
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| 55 | Original URL: http://www.cryst.chem.uu.nl/platon/ & |
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| 56 | source: ftp://xraysoft.chem.uu.nl/pub/ |
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| 57 | |
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| 58 | <DT> |
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| 59 | Interface for Fourier routines |
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| 60 | <DD> |
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| 61 | Perhaps with two parts: map compute set up options and viewing options. |
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| 62 | |
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| 63 | </DL><H2>Brand New</H2><DL> |
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| 64 | |
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| 65 | <DT> |
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| 66 | Change space group |
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| 67 | <DD> |
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| 68 | A mechanism where one can specify a new space group, cell, |
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| 69 | and reinput all atoms for the phase (to get site syms correct). One can |
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| 70 | keep the old atoms for the phase or replace them. It is possible |
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| 71 | to do this manually or with a file import capability. |
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| 72 | At present the only file type accepted is |
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| 73 | the .CEL format from PowderCell. New format filters can be "dropped" in |
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| 74 | place. |
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| 75 | |
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| 76 | <DT> |
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| 77 | Import Atoms/Import Phase |
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| 78 | <DD> |
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| 79 | This appears on the add atoms & add phase dialogs and draws on the above. |
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| 80 | |
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| 81 | <DT> |
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| 82 | Transform Atoms |
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| 83 | <DD> |
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| 84 | There is now a "xform atom(s)" button on the phase pane that |
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| 85 | can be used to transform coordinates, |
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| 86 | globally set the occupancy & Uiso and switch atoms between |
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| 87 | iso/aniso and erase selected groups of atoms |
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| 88 | |
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| 89 | <DT> |
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| 90 | Spherical Harmonic (ODF) Preferred Orientation |
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| 91 | <DD> |
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| 92 | done |
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| 93 | |
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| 94 | <DT> |
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| 95 | Delete phases |
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| 96 | <DD> |
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| 97 | Instead -- change phase flags on the histogram page (appears when 2+ phases |
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| 98 | present). |
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| 99 | |
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| 100 | <DT> |
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| 101 | Define background types |
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| 102 | <DD> |
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| 103 | The pull-down background selection menu now shows the names of the |
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| 104 | background functions |
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| 105 | |
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| 106 | |
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| 107 | |
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| 108 | </DL> |
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| 109 | <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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| 110 | <br> |
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| 111 | $Revision: 271 $ $Date: 2009-12-04 23:03:16 +0000 (Fri, 04 Dec 2009) $ |
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| 112 | </body> |
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| 113 | </html> |
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