[Jmol-users] Is there a problem with isosurfaces in jmol-14.6.4_2016.10.02?

I have been using jmol-14.2.9_2014.11.23 to make electrostatic potential maps. [See: http://ursula.chem.yale.edu/~chem220/chem220js/StudyAids.html#ESP] I use Gaussian to generate cube files. I open jmol.jar>console and type:

[Jmol-users] I there a problem with isosurfaces in jmol-14.6.4_2016.10.02

I have been using jmol-14.2.9_2014.11.23 to make electrostatic potential maps. [See: http://ursula.chem.yale.edu/~chem220/chem220js/StudyAids.html#ESP] I use Gaussian to generate cube files. I open jmol.jar>console and type: $ isosurface cutoff 0.02 filename_den.cub map filename_esp.cub $ write

Re: [Jmol-users] rotate best? DOCUMENTATION

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Re: [Jmol-users] rotate best? DOCUMENTATION

Right! I did not have all atoms selected. I suggest a change "best orientation for viewing" to "best orientation for viewing the selected atoms". And change "the model's containing box" to "the containing box of the selected atoms". It never occurred to me to select all first. Also I had

Re: [Jmol-users] rotate best?

On Fri, Oct 28, 2016 at 11:09 AM, Eric Martz wrote: > 1. When I apply "rotate best" to 1d66, I expect the distance from the > frontmost to backmost atoms to be minimized, and the distance from the > leftmost to rightmost atoms to be maximized. Neither appears to

[Jmol-users] rotate best?

1. When I apply "rotate best" to 1d66, I expect the distance from the frontmost to backmost atoms to be minimized, and the distance from the leftmost to rightmost atoms to be maximized. Neither appears to happen. Do I misunderstand the goal? " Rotates the model to a calculated "best"