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System S for UNIX, when combined with Shelx97/86, Sir97, Crunch and Dirdif gives a powerful Crystallography
suite for solving/building up structures from single crystal data for publication.
Platon can also try and suggest the spacegroup. Platon/System S creates a file and directory
heirarchy such that all operations are archived and can be backtracked through, plus the user
can try and solve in multiple spacegroups without overwriting any files.
The usual powerful Platon features such as ADDSYM, etc are also available via the System S interface.
System S has "structure building" options that can make use of an optimised Shelx, Sir97,
Crunch or Dirdif to try and build a partially solved structure to completion.
However, to get this going, the other programs (Shelx, Sir, Crunch and Dirdif)
must be installed separately.
At present, the System S part of Platon does not work under Windows. |
To get the entire System S suite 100% functional, go through the following:
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Example System S File
One thing to note is that you do not have to give System S any spacegroup information as Platon can try and work this out. (users can over-ride any System S spacegroup suggestions with their own) Also, the molecular formula is entered (not the unit cell contents); then System S will try and work out the number of molecules in the cell. (again, users can over-ride any System S suggestion). Following is the above example file showing all the information System S needs to start.
TITL SDEMO CELL 0.71073 4.0007 7.7300 16.7597 90.0540 94.0760 90.0528 ZERR 2 0.0010 0.0008 0.0022 0.0096 0.0160 0.0144 SFAC C H O UNIT 10 12 6 HKLF 4 |
Click here to see an example of System S/Platon in automatic NQA (No Questions Asked Mode) |