WinGX v1.64

9.3 PLATON - ANALYSE Menu WinGX v1.64
• The image can be refreshed by either hitting or clicking on the menu header
PLATON/ORTEP SUB-MENU
ToOptions - Back to main PLATON/ORTEP menu
DisplayText - Display additional text toggle.
NewText - Input on new text to move to its proper place subsequently.
MoveText - Move Text item to new position
Textsize - Change default textsize.
DeleteText - Delete textitem by clicking on it.
ChTextSize - Change size of a text item.
ViewInvert - Invert to opposite absolute configuration.
4.18 PLATON and CSD-FDAT files
PLATON can be run on multiple entry FDAT files. An END instruction loads the next entry
from the FDAT file. Certain instructions can be saved in order to run them also for the next
entries. This can be done by activating the 'SAVE-InstrS' button. An instruction sequence is
terminated by clicking on END (or by typing END). e.g. in order to examine a set of entries:
Click 'SAVE-InstrS'
Click 'ORTEP/ADP'
Click 'END'
Click 'END'
5. Terms and notions
5.1 The n.ijk symmetry operation on input
Atomic coordinates as input will be transformed in general by symmetry operations following
certain rules. In the default automatic mode this will result in a connected set with residues
properly positioned within the unit cell range. The symmetry operation applied to the input
data will be listed under the header trans in the atomic coordinates listing and is encoded as
n.ijk. n stands for the number of the symmetry operation as specified on the first page of the
output listing and ijk for the unit cell translations in the three directions relative to 555:
ijk=564 means 1 positive translation in the b direction, 1 negative translation in the c
direction and none in the a direction.
The automatic mode transformation may be overruled for a given atom by preceding the data
for that particular atom by a TRNS instruction e.g. TRNS 3.564. This facility may be used to
determine the part of the molecule that is to be considered as the asymmetric part of a
symmetrical molecule. The transformation to be applied only to the first atom as a starting
point of a new residue can be forced with a negative symmetry transformation code e.g.
TRNS -5.354. Its position in the input stream determines the atoms to which it will apply. The
input stream may contain several of such instructions, each apply to the atoms that follow
until overruled by a new one. Their effect will only be on atoms that are chosen to start a new
residue.
Chapter. 9.3 PLATON 23