On 8/15/16 9:30 AM, f.namazi...@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 jalem...@outerbanks.umaryland.edu | (410) 706-7441 http://mackerell.umaryland.edu/~jalemkul ================================================== -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
