[gmx-users] PDB file
f.namazifar at sci.ui.ac.ir
f.namazifar at sci.ui.ac.ir
Mon Aug 15 15:38:20 CEST 2016
Hi Dear all;
What are these columns "1.00" and "0.00" in PDB file?
for example:
ATOM 10 N LEU A 2 4.595 6.365 3.756 1.00 0.00
N ATOM 11 CA LEU A 2 4.471 5.443 2.633 1.00
0.00 C ATOM 12 C LEU A 2 5.841 5.176
2.015 1.00 0.00 C ATOM 13 O LEU A 2 6.205
4.029 1.755 1.00 0.00 O ATOM 14 CB LEU A 2
3.526 6.037 1.578 1.00 0.00 C ATOM 15 CG LEU A
2 2.790 4.919 0.823 1.00 0.00 C ATOM 16 CD1
LEU A 2 3.803 3.916 0.262 1.00 0.00 C ATOM
17 CD2 LEU A 2 1.817 4.196 1.769 1.00 0.00 C
ATOM 18 H LEU A 2 4.169 7.246 3.704 1.00 0.00
H ATOM 19 HA LEU A 2 4.063 4.514 2.992 1.00
0.00 H ATOM 20 HB2 LEU A 2 2.804 6.675
2.065 1.00 0.00 H ATOM 21 HB3 LEU A 2 4.099
6.623 0.873 1.00 0.00 H ATOM 22 HG LEU A 2
2.234 5.353 0.004 1.00 0.00 H ATOM 23 HD11 LEU A
2 4.648 4.447 -0.148 1.00 0.00 H ATOM 24 HD12
LEU A 2 3.334 3.331 -0.516 1.00 0.00 H ATOM
25 HD13 LEU A 2 4.137 3.260 1.052 1.00 0.00 H
ATOM 26 HD21 LEU A 2 0.941 3.892 1.216 1.00 0.00
H ATOM 27 HD22 LEU A 2 1.522 4.860 2.568 1.00
0.00 H ATOM 28 HD23 LEU A 2 2.296 3.323
2.188 1.00 0.00 H The Best. Farzaneh.
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