[Jmol-users] Isosurface loading syntax for Jmol 12

[Kieron T. <kie...@un...>]

Hi,

I'm struggling with Jmol 12 and the isosurface script command syntax:

 >> isosurface surface01 0.01 "nwchemtest/dplot.cube.gz"

This works in Jmol 11.8, but gives me a syntax error in 12:

script ERROR: invalid argument

In fact, most of the offered isosurface syntaxes found in the user guide 
(ch4, isosurface section) seem to trigger errors for me. The only thing 
that I can get to work is a simple load command with no cut-off 
configuration like:

 >> isosurface "molecule.cube"

Can anyone tell me what Jmol 12 is expecting from me?

Also, when I generate these script errors, the reported problems seem to 
have erroneous values, e.g.

 >> isosurface 0.01 "dplot.cube.gz"
 >> script ERROR: invalid argument
----
 >>      isosurface >> 0.1 << "cube.gz"

The numbers do not match!


Yours in anticipation,


Kieron