Running the auto-building Phasex option within SXGRAPH
Within WinGX (once you have a trial structure) run SXGRAPH by selecting the SXGRAPH ICON to (in the case of tetracycline) which brings up the following screen.
|
Assuming DIRDIF is also installed, SXGRAPH provides an easy interface to auto-build
a partially completed structure to near completion. This is done
using the PHASEX function available in DIRDIF.
(A caveate is that the crystal contents of the cell should be described correctly)
|
Running the auto-building Phasex option within SXGRAPHWithin WinGX (once you have a trial structure) run SXGRAPH by selecting the SXGRAPH ICON to (in the case of tetracycline) which brings up the following screen.
|
|
Again assuming DIRDIF for Windows has also been
installed, select Refinement, Run PHASEX to start
and try auto-building the structure.
|
|
In Phasex/Dirdif, select File, Exit and the resulting
structure should then appear in the SXGRAPH window. Of course
the structure still has to be inspected and refined further.
Now continue on with the structure refinement as per normal.
|
