thanks again Angel and Bob, Adding ”Load” (to generate a reLoad) seems to work. I tried a full molecule, using neuroglobin (1206 atoms) as test pdb:
load data "model x" |1206|testM ATOM 1 N ARG N 3 2.863 14.326 17.604 1.00 25.27 N1+ ATOM 2 CA ARG N 3 4.208 14.864 17.614 1.00 23.12 C ATOM 3 C ARG N 3 5.229 13.815 17.197 1.00 21.38 C ATOM 4 O ARG N 3 5.146 12.681 17.652 1.00 20.24 O ATOM 5 CB ARG N 3 4.565 15.377 19.022 1.00 28.26 C ATOM 6 N PRO N 4 6.259 14.179 16.411 1.00 15.40 N ATOM 7 CA PRO N 4 7.331 13.204 16.123 1.00 14.43 C . . . ( 1206 lines total that start as ATOM or TER or HERATM / plus the CONECT) END end ”model x”; show data ; Load ; wireframe off ; spacefill off ; cartoons ; color [000, 000, 220] ; select 546 or 93 ; wireframe 50 ; spacefill 100 ; select 546 ; color red ; select 93 ; color cpk ; spin on The lines above are summed into one string, using | as separator (starts each new line) and Chr$(34) as “ character. The extra “END” (from the pdf file) does not change anything. Adding the "Load" (after “show data”) works. In fact you can replace "show data" with "Load". Without the re-Load, the same select/color commands do not display anything. So the “load data” / "show data" method works fine for entries of the type: "N -0.686 14.852 16.090" But does not seem to be complete when using “ATOM ..” lines. The re-Load apparently is needed. Note that truncated pdb lines of type “CA 0.621 15.543 16.081” works, but the two letter protein codes (C vs CA vs CB vs CG) are not interpreted correctly. I will try to switch to JSMol Michael Marden ------------------------------------------------------------------------------ Want excitement? Manually upgrade your production database. When you want reliability, choose Perforce. Perforce version control. Predictably reliable. http://pubads.g.doubleclick.net/gampad/clk?id=157508191&iu=/4140/ostg.clktrk _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
