source: trunk/doc/wishlist.html @ 272

Last change on this file since 272 was 271, checked in by toby, 11 years ago

# on 2000/08/21 19:35:43, toby did:
update to reflect current progress

  • Property rcs:author set to toby
  • Property rcs:date set to 2000/08/21 19:35:43
  • Property rcs:lines set to +21 -13
  • Property rcs:rev set to 1.5
  • Property rcs:state set to Exp
  • Property svn:keywords set to Author Date Revision Id
File size: 2.9 KB
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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>
35More coordinate import routines
36<DD>
37A CIF import routine is being worked on.
38
39
40</DL><H2>Perhaps someday</H2><DL>
41<DT>
42Fixed background
43<DD>
44I do not like fixed background use, but agree that fixed points are useful
45for starting a fit. I would like to have a routine that fits a
46Chebeshev polynomial to a set of fixed points input by a user.
47
48<DT>
49Export to Platon
50<DD>
51The platon viewer runs in UNIX and Windows
52(http://www.ccp14.ac.uk/tutorial/platon/). It would be nice to be able to
53export in the correct format and perhaps even fork the viewer.
54Recommended by Lachlan Cranswick.
55Original URL: http://www.cryst.chem.uu.nl/platon/ & 
56source: ftp://xraysoft.chem.uu.nl/pub/
57
58<DT>
59Interface for Fourier routines
60<DD>
61Perhaps with two parts: map compute set up options and viewing options.
62
63</DL><H2>Brand New</H2><DL>
64
65<DT>
66Change space group
67<DD>
68A mechanism where one can specify a new space group, cell,
69and reinput all atoms for the phase (to get site syms correct). One can
70keep the old atoms for the phase or replace them. It is possible
71to do this manually or with a file import capability.
72At present the only file type accepted is
73the .CEL format from PowderCell. New format filters can be "dropped" in
74place.
75
76<DT>
77Import Atoms/Import Phase
78<DD>
79This appears on the add atoms & add phase dialogs and draws on the above.
80
81<DT>
82Transform Atoms
83<DD>
84There is now a "xform atom(s)" button on the phase pane that
85can be used to transform coordinates,
86globally set the occupancy & Uiso and switch atoms between
87iso/aniso and erase selected groups of atoms
88
89<DT>
90Spherical Harmonic (ODF) Preferred Orientation
91<DD>
92done
93
94<DT>
95Delete phases
96<DD>
97Instead -- change phase flags on the histogram page (appears when 2+ phases
98present).
99
100<DT>
101Define background types
102<DD>
103The pull-down background selection menu now shows the names of the
104background functions
105
106
107
108</DL>
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>)
110<br>
111$Revision: 271 $ $Date: 2009-12-04 23:03:16 +0000 (Fri, 04 Dec 2009) $
112</body>
113</html>
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