Timothy Driscoll wrote: >On May 8, 2007, at 7:57 PM, Bob Hanson wrote: > > > >>Timothy Driscoll wrote: >> >> >> >>>hi Bob, >>> >>>I think isosurface command, or at least the cavity variety, might be >>>broken. this no longer works for me: >>> >>>isosurface cavsurf1 select(bspocket1) ignore(not bspocket1) cavity >>>0.7 10 >>> >>> >>> >>No. The following works for me: >> >>load =1dry >>isosurface s1 select(protein) ignore (not protein) cavity 0.7 10 >> >> >>Does that not work for you in the application? >> >>The only thing I can think of is that there is something odd about >>that >>bspocket1 definition. Maybe send me the saved state script. If you try >>yours with "protein" instead of "bspocket1" does it work? >> >> >> > >it looks like a problem between cavity and the 'load files' feature. >for example, this fails: > >load files "1S1T.pdb" "1S1U.pdb" >isosurface s1 select(protein) ignore(not protein) cavity 1.2 10 > > > >but variations of regular surface commands work ok: > >load files "1S1T.pdb" "1S1U.pdb" >isosurface s1 select(protein) ignore(not protein) solvent > > >load files "1S1T.pdb" "1S1U.pdb" >isosurface s1 select(model=1 and hetero) ignore(not (model=1 and >hetero) solvent > > > oy. Tim is wading into unchartered waters.....
Ok, that should be fixed in the next release -- 11.1.36. The way it will work is that surfaces are generated only for the present model frame. If you want to create an isosurface for a different model - not the one in the current frame - then what you do is include the keyword MODEL followed by the model number you want to work with. This is not working correctly in 11.1.35: isosurface model 2.1 ........ for example. Bob ------------------------------------------------------------------------- This SF.net email is sponsored by DB2 Express Download DB2 Express C - the FREE version of DB2 express and take control of your XML. No limits. Just data. Click to get it now. http://sourceforge.net/powerbar/db2/ _______________________________________________ Jmol-developers mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-developers
