[gmx-users] PDB file
Justin Lemkul
jalemkul at vt.edu
Mon Aug 15 15:58:25 CEST 2016
On 8/15/16 9:30 AM, f.namazifar at sci.ui.ac.ir wrote:
> Hi Dear all;
> What are these columns "1.00" and "0.00" in PDB file?
Google knows all about PDB format.
-Justin
> 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.
--
==================================================
Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow
Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201
jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul
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