You can dump an orientation from O, and use it in Molscript/Raster3D to render the identical view. Here's how:

1. In O, type "write_form .gs_real omatrix.dat". O will repond with "Heap> Format:". Hit a blank carriage return.

2. Run "o2mol < omatrix.dat > o2mol.out". This creates a file called o2mol.out which contains the coordinate translation.

Example o2mol.out:


.GS_REAL R 27 (8(x,f8.4))

For MolScript:

transform atom * by centre position in molecule _____

by rotation 0.325108 -0.553707 -0.766625

0.818604 -0.241113 0.521298

-0.473490 -0.797040 0.374879 ;

OR

transform atom * by centre position in molecule _____

by rotation z 30.71

by rotation x -67.98

by rotation z 55.78 ;

For coordinate transforms in o:

.LSQ_RT_GS 12 (x,3f12.6)

0.325108 0.818604 -0.473490

-0.553707 -0.241113 -0.797040

-0.766625 0.521298 0.374879

66.435616 -65.720299 10.025201


3. Notice that, under the line "For MolScript:" there are two "transform atom" statements. Either of these will get you to the proper orientation. You only need to copy one of these into your input file for molscript. Replace the "_____" with the name of the molecule to translate around.

Example input file for molscript. This file would read in three different PDB files, translating them about the center of the first file (mol1):


plot

!noframe

!background black;

window 200.;

set depthcue 0.5,

colourdepthcue 0.0;

set linewidth 0.2;

set stickradius 0.3,

sticktaper 0.3;

set labelsize 15.0;

read mol1 "heavy.pdb";

read mol2 "light1.pdb";

read mol3 "light2.pdb";

transform atom * by centre position in molecule mol1

by rotation z 30.71

by rotation x -67.98

by rotation z 55.78 ;

set planecolour rgb 1.0 0.9 0.0, atomradius atom CA 8., coilradius .4;

turn from A4 to A844;

set planecolour rgb 0.95 0.1 0.0;

turn from B19 to B163;

set planecolour rgb 0.25 0.55 0.25;

turn from C5 to C149;

!end_plot

end_plot


4. If your molscript input file is called mol.in, run "molscript -r < mol.in | render -sgi mol.rgb". This will create an SGI image file called mol.rgb ; to create a postscript file instead, run "molscript -s < mol.in > mol.ps