source: trunk/doc/wishlist.html @ 256

Last change on this file since 256 was 256, checked in by toby, 11 years ago

# on 2000/08/04 19:23:57, toby did:
update with latest

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  • Property rcs:date set to 2000/08/04 19:23:57
  • Property rcs:lines set to +35 -16
  • Property rcs:rev set to 1.4
  • Property rcs:state set to Exp
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1<html>
2<head>
3   <META NAME="Author" CONTENT="Brian H. Toby">
4   <title>EXPGUI Wish List</title>
5</head>
6<BODY BGCOLOR="#FFFFFF">
7
8<A HREF=http://www.ncnr.nist.gov>
9<IMG SRC="http://www.ncnr.nist.gov/images/ncnrtrans.gif" 
10alt="Link to NIST Center for Neutron Research home page"
11ALIGN=RIGHT></A>
12<A HREF=http://www.nist.gov>
13<IMG SRC="http://www.ncnr.nist.gov/images/webidblue_2lineright.gif" 
14alt="Link to National Institute of Standards & Technology home page"
15ALIGN=LEFT></A>
16<CENTER>
17<A Href="http://www.ncnr.nist.gov/programs/crystallography/software/tclpkgs.html">
18<IMG SRC="tcltklogo100.gif" 
19alt="Link to Tcl/Tk information">
20</CENTER></A>
21<hr>
22
23<center><h1>
24EXPGUI Wish List<BR>
25New Features In Progress, Planned, or Requested
26</h1></center>
27<P>
28See the
29<A HREF="expgui.html">EXPGUI documentation</A> for a description of
30the current features.
31
32<H2>In Progress</H2><DL>
33
34<DT>
35Change space group
36<DD>
37I plan to have a mechanism where one can specify a new space group, cell,
38and reinput all atoms for the phase (to get site syms correct). One can
39keep the old atoms for the phase or replace them. It will be possible
40to do this manually or with file import capabilities.
41File formats to be considered are: 
42the .CEL format from PowderCell and CIF. Probably not SHELX.
43<DT>
44Import Atoms
45<DD>
46This will appear on the add atoms dialog and will draw on the above.
47
48</DL><H2>Perhaps someday</H2><DL>
49
50<DT>
51Fixed background
52<DD>
53I do not like fixed background use, but agree that fixed points are useful
54for starting a fit. I would like to have a routine that fits a
55Chebeshev polynomial to a set of fixed points input by a user.
56
57<DT>
58Export to Platon
59<DD>
60The platon viewer runs in UNIX and Windows
61(http://www.ccp14.ac.uk/tutorial/platon/). It would be nice to be able to
62export in the correct format and perhaps even fork the viewer.
63Original URL: http://www.cryst.chem.uu.nl/platon/ & 
64source: ftp://xraysoft.chem.uu.nl/pub/
65
66<DT>
67Interface for Fourier routines
68<DD>
69Perhaps with two parts: map compute set up options and viewing options.
70
71</DL><H2>Brand New</H2><DL>
72
73<DT>
74Transform Atoms
75<DD>
76There is now a "xform atom(s)" button on the phase pane that
77can be used to transform coordinates,
78globally set the occupancy & Uiso and switch atoms between
79iso/aniso and erase selected groups of atoms
80
81<DT>
82Spherical Harmonic (ODF) Preferred Orientation
83<DD>
84done
85
86<DT>
87Delete phases
88<DD>
89Instead -- change phase flags on the histogram page (appears when 2+ phases
90present).
91
92<DT>
93Define background types
94<DD>
95The pull-down background selection menu now shows the names of the
96background functions
97
98
99
100</DL>
101<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>)
102<br>
103$Revision: 256 $ $Date: 2009-12-04 23:03:01 +0000 (Fri, 04 Dec 2009) $
104</body>
105</html>
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