Changeset 521

Timestamp:

Dec 4, 2009 5:07:33 PM (14 years ago)

Author:

toby

Message:

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

File:

• trunk/doc/expgui6.html (modified) (1 diff, 3 props)

trunk/doc/expgui6.html

@@ -121 +121 @@
 with one exception. When shifts for Uiso
 are constrained to the same value for all atoms in a phase, 
-this counts as a single parameter. If more than 100 
+this counts as a single parameter. If more than 500 
 parameters are entered for a constraint, an error message is shown.
 Up to 2000 total atomic constraints may be entered. 
 EXPGUI does not warn if you exceed this limit.
+</DL></DL>
+
+<a name="MMConstraints"></a>
+<H4>Macromolecular Constraints</H4>
+<DL><DL>
+Constraints for a macromolecular phase can be entered on a 
+pane similar to the Atomic Constraints, except that the phase number
+does not appear anywhere (since the macromolecular phase must 
+be phase #1). The variables that can be constrained for
+a macromolecular phase are the coordinates, x, y, & z as well as 
+the occupancy, FRA and the atomic displacement parameter, UIS. 
+The special constraint, XYZU, is used to constrain all coordinates 
+and the displacement parameter.
 </DL></DL>