Changeset 256
- Timestamp:
- Dec 4, 2009 5:03:01 PM (13 years ago)
- File:
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- 1 edited
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trunk/doc/wishlist.html
- Property rcs:date changed from 2000/07/28 20:14:41 to 2000/08/04 19:23:57
- Property rcs:lines changed from +36 -21 to +35 -16
- Property rcs:rev changed from 1.3 to 1.4
r241 r256 30 30 the current features. 31 31 32 <H2> Planned</H2><DL>32 <H2>In Progress</H2><DL> 33 33 34 34 <DT> 35 35 Change space group 36 36 <DD> 37 This will be implemented, along with an option to delete all atoms. 38 37 I plan to have a mechanism where one can specify a new space group, cell, 38 and reinput all atoms for the phase (to get site syms correct). One can 39 keep the old atoms for the phase or replace them. It will be possible 40 to do this manually or with file import capabilities. 41 File formats to be considered are: 42 the .CEL format from PowderCell and CIF. Probably not SHELX. 39 43 <DT> 40 44 Import Atoms 41 45 <DD> 42 The goal here will be to read in atoms and perhaps a unit cell and spacegroup 43 from a some common file formats. I plan to use the .CEL format from PowderCell. 44 CIF has also been requested. 46 This will appear on the add atoms dialog and will draw on the above. 45 47 46 <DT> 47 Transform Atoms 48 <DD> 49 I envision having a way to globally set values for groups of atoms, 50 apply matrix transformations to coordinates, switch atoms between 51 iso/aniso. 52 48 </DL><H2>Perhaps someday</H2><DL> 53 49 54 50 <DT> … … 60 56 61 57 <DT> 62 Define background types 58 Export to Platon 63 59 <DD> 64 I will look into a way to list the names of the functions in the GUI. 60 The platon viewer runs in UNIX and Windows 61 (http://www.ccp14.ac.uk/tutorial/platon/). It would be nice to be able to 62 export in the correct format and perhaps even fork the viewer. 63 Original URL: http://www.cryst.chem.uu.nl/platon/ & 64 source: ftp://xraysoft.chem.uu.nl/pub/ 65 66 <DT> 67 Interface for Fourier routines 68 <DD> 69 Perhaps with two parts: map compute set up options and viewing options. 65 70 66 71 </DL><H2>Brand New</H2><DL> 72 73 <DT> 74 Transform Atoms 75 <DD> 76 There is now a "xform atom(s)" button on the phase pane that 77 can be used to transform coordinates, 78 globally set the occupancy & Uiso and switch atoms between 79 iso/aniso and erase selected groups of atoms 67 80 68 81 <DT> … … 77 90 present). 78 91 92 <DT> 93 Define background types 94 <DD> 95 The pull-down background selection menu now shows the names of the 96 background functions 97 79 98 80 99
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