I cannot do that, because the CHARMM-GUI server that I use for calculating the electrostatic potential changes the orientation of the input structures (I reported that to the authors).
Cheers, Janek Carlos Huerta wrote: > Janek, > > You need to align your structure with the reference, then re-calculate the > electrostatic potentials. > > Sincerely, > > Carlos > > >>>> Jan Kosinski <k...@genesilico.pl> 04/28/09 9:04 AM >>> >>>> > I am visualizing in PyMol electrostatic potential generated by PBEQ > Solver from CHARMM-GUI at http://www.charmm-gui.org/?doc=input/pbeqsolver > > The maps loads and colors nicely with the following commands suggested > by the PBEQ Solver server: > load 1zziA_pbeq.pdb > load 1zziA_pbeq.dx, 1zziA_map > show surface, 1zziA_pbeq > ramp_new 1zziA_elvl, 1zziA_map,[-2,0,2] > set surface_color, 1zziA_elvl, 1zziA_pbeq > set surface_solvent, 1, 1zziA_pbeq > > Now I want to fit my structure to some reference one using super or > align commands. As expected, the map no longer works, I cannot > re-generate the original coloring after fitting. I suppose that I need > to change the orientation of the map accordingly to the rotation of the > structure. But... how to do that? Is it at all possible? > > Cheers, > Janek > > ------------------------------------------------------------------------------ > Register Now & Save for Velocity, the Web Performance & Operations > Conference from O'Reilly Media. Velocity features a full day of > expert-led, hands-on workshops and two days of sessions from industry > leaders in dedicated Performance & Operations tracks. Use code vel09scf > and Save an extra 15% before 5/3. http://p.sf.net/sfu/velocityconf > _______________________________________________ > PyMOL-users mailing list > PyMOL-users@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/pymol-users > > > > > ------------------------------------------------------------------------------ Register Now & Save for Velocity, the Web Performance & Operations Conference from O'Reilly Media. Velocity features a full day of expert-led, hands-on workshops and two days of sessions from industry leaders in dedicated Performance & Operations tracks. Use code vel09scf and Save an extra 15% before 5/3. http://p.sf.net/sfu/velocityconf _______________________________________________ PyMOL-users mailing list PyMOL-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/pymol-users
