Jmol 10.9.71 - 10.9.73
--10.9.73 fixes a critical bug introduced in 10.9.72 that disabled the
MO command.
file readers
------------
--adds a preliminary Chem3D .c3xml file reader -- atoms/bonds/charges only
select
------
--"select clickable" allows you to select atoms that are clickable. This means
that you can programmatically determine and select for atoms that are visible
or not due to slabbing.
--fixes old bug not allowing "select symop != n"
--adds "select symop nxxx" for selecting specific lattice translations
associated with specific symmetry operations.
popup menu
----------
--augments the popup menu with a "surfaces" submenu that, among other
things, makes displaying solvent/molecular and solvent-accessible
surfaces, molecular orbitals, and molecular electrostatic potential a snap.
--adds color...surface to the popup menu
[more discussion of what really should be on that pop-up menu is welcome]
isosurface
----------
--adds Miller index plane definition options for isosurface as "hkl {h k l}"
--allows simple plane-definition options x=, y=, z=
--allows simple plane drawing, for example: "isosurface plane x=3.2"
--sets MEP to default to "color absolute -0.05 to 0.05"
--surface and sasurface default to "ignore(solvent)"; "ignore(none)"
overrides this.
--adds three-point plane definition involving any combination
of atom expressions and coordinates:
isosurface plane (atomno=2) (atomno=3) (atomno=6)
isosurface plane {1 1 0} {2 3 0} (atomno=3)
--allows solvent/molecular data to be used for mapping a plane:
isosurface plane z=3.5 solvent
--adds isosurface colorscheme "sets", which colors the isosurface based on sets
of connected triangles. Up to 100 different sets are automatically colored.
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