Modify

Possibilities offered by the sub-menu Modify shown on the left; some of these can be accessed directly using icons in the main toolbar.

 

	Set Up	Tune program default
	Model	Open the auxiliary Modify Model toolbar

Set Up

By means of  the following window:

 it is possible to change some program default such as:

The formula used to estimate triplet invariants(Cochran or P10)
  The number of the reflections with the largest E value
  Evaluate or not the Negative Quartet invariants
  The number of trials
  The procedure used to solve the structure related to the structural complexity (i.e. the structure size)
  The Residual threshold used to stop the phasing process
  The use of Negative Triplets in tangent formula
  The use of the Relax procedure 

Model

Tools are supplied in order to modify the model. It is possible to access them directly using the toolbar:

	Delete atoms	Click on atoms to be deleted
	Undelete atoms	Select from a list of deleted atoms those to be restored
	ReLabel atoms	Click on atoms to change their species
	ReNumber atoms	Click on atoms to change their sequence number
	Sort by Label	Sort atoms with respect to the atomic species
	Add Bonds	Click on couples of atoms to be bonded
	Delete Bonds	Click on couples of atoms to delete their bond
	Move atoms	Move a group of atoms in a symmetrically equivalent position
	ReGroup atoms	Re-compute connectivity
	Complete ring	Complete 6-membered ring
	Regularize ring	Regularize 6-membered ring
	Complete tetrahedron	Add atoms to complete a Tetrahedron
	Add one atom	Add a coplanar atom to 3 existing atoms