[gmx-users] PDB file

[Justin Lemkul]

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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