Changeset 521


Ignore:
Timestamp:
Dec 4, 2009 5:07:33 PM (11 years ago)
Author:
toby
Message:

# on 2002/01/22 21:05:10, toby did:
MM constraints

File:
1 edited

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  • trunk/doc/expgui6.html

    • Property rcs:date changed from 2001/12/19 18:55:42 to 2002/01/22 21:05:10
    • Property rcs:lines changed from +21 -18 to +15 -2
    • Property rcs:rev changed from 1.9 to 1.10
    r510 r521  
    121121with one exception. When shifts for Uiso
    122122are constrained to the same value for all atoms in a phase,
    123 this counts as a single parameter. If more than 100
     123this counts as a single parameter. If more than 500
    124124parameters are entered for a constraint, an error message is shown.
    125125Up to 2000 total atomic constraints may be entered.
    126126EXPGUI does not warn if you exceed this limit.
     127</DL></DL>
     128
     129<a name="MMConstraints"></a>
     130<H4>Macromolecular Constraints</H4>
     131<DL><DL>
     132Constraints for a macromolecular phase can be entered on a
     133pane similar to the Atomic Constraints, except that the phase number
     134does not appear anywhere (since the macromolecular phase must
     135be phase #1). The variables that can be constrained for
     136a macromolecular phase are the coordinates, x, y, & z as well as
     137the occupancy, FRA and the atomic displacement parameter, UIS.
     138The special constraint, XYZU, is used to constrain all coordinates
     139and the displacement parameter.
    127140</DL></DL>
    128141
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