The ANISOU records present the anisotropic temperature factors.
COLUMNS | DATA TYPE | FIELD | DEFINITION |
1 - 6 | Record name | "ANISOU" | |
7 - 11 | Integer | serial | Atom serial number. |
13 - 16 | Atom | name | Atom name. |
17 | Character | altLoc | Alternate location indicator |
18 - 20 | Residue name | resName | Residue name. |
22 | Character | chainID | Chain identifier. |
23 - 26 | Integer | resSeq | Residue sequence number. |
27 | AChar | iCode | Insertion code. |
29 - 35 | Integer | u[0][0] | U(1,1) |
36 - 42 | Integer | u[1][1] | U(2,2) |
43 - 49 | Integer | u[2][2] | U(3,3) |
50 - 56 | Integer | u[0][1] | U(1,2) |
57 - 63 | Integer | u[0][2] | U(1,3) |
64 - 70 | Integer | u[1][2] | U(2,3) |
77 - 78 | LString(2) | element | Element symbol, right-justified. |
79 - 80 | LString(2) | charge | Charge on the atom. |