Description of code.CDR
Mainly the input file for XLENS (code.CDR) has three parts:
A typical example of file code.CDR is
[pro-pro-phe-phe-gly-].MeOH.H20 in P212121; 86 atoms
CELL
13.999 21.602 21.615 90. 90. 90.
LATTICE
1
SYMMETRY
X, Y, Z
-X+1/2, -Y, Z+1/2
-X, Y+1/2, -Z+1/2
X+1/2, 1/2-Y,-Z
CONTENT
6 248
1 328
7 40
8 56
&CONTROL IHKL=1, NSET=200/
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