"select hetatm and resname atp" or "select hetatm and r. atp"
see also: "help selections" gilleain On Tue, Sep 23, 2008 at 7:18 PM, Paul Shannon <pshan...@systemsbiology.org> wrote: > What command will select a HETATM of ATP? I am looking at 1ATP.pdb, > in which the ATP molecule appears > as shown below. > > I found 'select hetatm' but found no way to be more specific, in the > spirit of > > 'select hetatm and name=ATP' > > Thanks! > > - Paul > > > HETATM 2937 O2 PO3 E 338 18.820 34.274 -7.166 1.00 > 45.64 O > HETATM 2938 O3 PO3 E 338 17.963 34.737 -4.940 > 1.00100.00 O > HETATM 2939 PG ATP 1 16.223 8.151 -1.015 1.00 > 18.11 P > HETATM 2940 O1G ATP 1 17.550 8.536 -0.515 1.00 > 17.95 O > HETATM 2941 O2G ATP 1 15.748 6.835 -0.427 1.00 > 15.57 O > HETATM 2942 O3G ATP 1 16.255 8.014 -2.438 1.00 > 6.59 O > HETATM 2943 PB ATP 1 14.471 10.520 -1.490 1.00 > 22.96 P > HETATM 2944 O1B ATP 1 13.929 9.920 -2.700 1.00 > 13.08 O > HETATM 2945 O2B ATP 1 15.318 11.737 -1.637 1.00 > 19.59 O > HETATM 2946 O3B ATP 1 15.196 9.363 -0.681 1.00 > 13.80 O > HETATM 2947 PA ATP 1 11.968 9.868 -0.260 1.00 > 19.49 P > HETATM 2948 O1A ATP 1 11.100 9.880 -1.430 1.00 > 13.47 O > HETATM 2949 O2A ATP 1 12.426 8.514 0.144 1.00 > 25.00 O > HETATM 2950 O3A ATP 1 13.242 10.795 -0.567 1.00 > 21.72 O > HETATM 2951 O5' ATP 1 11.333 10.591 1.011 1.00 > 14.92 O > HETATM 2952 C5' ATP 1 12.092 10.373 2.227 1.00 > 58.54 C > HETATM 2953 C4' ATP 1 11.238 9.922 3.406 1.00 > 15.72 C > HETATM 2954 O4' ATP 1 10.003 10.681 3.386 1.00 > 30.04 O > HETATM 2955 C3' ATP 1 10.722 8.498 3.395 1.00 > 9.26 C > HETATM 2956 O3' ATP 1 11.705 7.533 3.717 1.00 > 33.78 O > HETATM 2957 C2' ATP 1 9.560 8.606 4.401 1.00 > 1.00 C > HETATM 2958 O2' ATP 1 9.942 8.562 5.764 1.00 > 48.53 O > HETATM 2959 C1' ATP 1 8.988 9.957 4.085 1.00 > 12.71 C > HETATM 2960 N9 ATP 1 7.778 9.924 3.236 1.00 > 19.15 N > HETATM 2961 C8 ATP 1 7.884 9.906 1.879 1.00 > 45.84 C > HETATM 2962 N7 ATP 1 6.731 9.904 1.248 1.00 > 35.77 N > HETATM 2963 C5 ATP 1 5.796 9.977 2.253 1.00 > 24.00 C > HETATM 2964 C6 ATP 1 4.373 10.039 2.244 1.00 > 26.67 C > HETATM 2965 N6 ATP 1 3.616 10.001 1.128 1.00 > 31.35 N > HETATM 2966 N1 ATP 1 3.756 10.034 3.445 1.00 > 19.73 N > HETATM 2967 C2 ATP 1 4.499 10.076 4.582 1.00 > 28.79 C > HETATM 2968 N3 ATP 1 5.825 10.053 4.705 1.00 > 18.18 N > HETATM 2969 C4 ATP 1 6.425 9.873 3.496 1.00 > 37.89 C > HETATM 2970 O HOH 400 8.234 9.392 -4.975 1.00 > 37.01 O > HETATM 2971 O HOH 402 -1.957 4.450 -6.367 1.00 > 18.24 O > HETATM 2972 O HOH 403 12.337 4.400 -6.581 1.00 > 18.55 O > > ------------------------------------------------------------------------- > This SF.Net email is sponsored by the Moblin Your Move Developer's challenge > Build the coolest Linux based applications with Moblin SDK & win great prizes > Grand prize is a trip for two to an Open Source event anywhere in the world > http://moblin-contest.org/redirect.php?banner_id=100&url=/ > _______________________________________________ > PyMOL-users mailing list > PyMOL-users@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/pymol-users >
