Changes between Version 148 and Version 149 of requests


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Timestamp:
Jun 23, 2011, 6:00:54 PM (15 years ago)
Author:
goddard
Comment:

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  • requests

    v148 v149  
    1010Currently they include only those collected by Tom Goddard (focus on
    1111density maps, molecular assemblies, electron microscopy).
     12</p>
     13
     14<p>
     15314.
     16<b>CIF crystal symmetry duplicate atoms.</b><br>
     17June 23, 2011<br>
     18Matthew Thompson<br>
     19In CIF files representing small molecule crystals (e.g. ice) applying crystal symmetry
     20can place copies of atoms right on top of themselves. Some web posts said this is normal
     21and the duplicates should be eliminated.  Chimera does not eliminate them.  Perhaps it
     22should.  There are complexities in deciding where to place bonds then.  Matthew Thompson
     23sent an ice example which is particularly troublesome with half occupancies for 4 hydrogen
     24positions around each oxygen.
    1225</p>
    1326