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Coot

8 bytes added, 09:09, 27 February 2008
m
Example Script 8: Partial Occupancy Dialog
Note that this will often work with SHELXL molecules, because they have atoms with negative (e.g -31) occupancies.
Note also that you will need a recent version of Coot to use this, as it stands. This will not work on stock Coot version 0.4.x. You can enable this for use with 0.4.x if you update /replace your xxx/share/coot/scheme/coot-gui.scm file from [http://coot.googlecode.com/svn/trunk/scheme/coot-gui.scm here].
===Optional Wrappers and (External) Shell Script Enhancements===
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