Category atom_site_anisotrop
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Category Description
Data items in the ATOM_SITE_ANISOTROP category record details
about temperature or thermal displacement factors, if those data
items are contained in a separate list from the ATOM_SITE list.
If the ATOM_SITE_ANISOTROP category is used for storing these
data, the corresponding ATOM_SITE data items are not used.
Category Examples
Example 1:
Example 1 - based on NDB structure BDL005 of Holbrook, Dickerson &
Kim [(1985). Acta Cryst. B41, 255-262].
loop_
_atom_site_anisotrop.id
_atom_site_anisotrop.type_symbol
_atom_site_anisotrop.U[1][1]
_atom_site_anisotrop.U[1][2]
_atom_site_anisotrop.U[1][3]
_atom_site_anisotrop.U[2][2]
_atom_site_anisotrop.U[2][3]
_atom_site_anisotrop.U[3][3]
1 O 8642 4866 7299 -342 -258 -1427
2 C 5174 4871 6243 -1885 -2051 -1377
3 C 6202 5020 4395 -1130 -556 -632
4 O 4224 4700 5046 1105 -161 345
5 C 8684 4688 4171 -1850 -433 -292
6 O 11226 5255 3532 -341 2685 1328
7 C 10214 2428 5614 -2610 -1940 902
8 C 4590 3488 5827 751 -770 986
9 N 5014 4434 3447 -17 -1593 539
# ---- abbreviated ----
Key Category Items
Items in Category atom_site_anisotrop
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at the
Resource Collaboratory for Structural Bioinformatics
Rutgers University, Department of Chemistry
New Brunswick, New Jersey
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