Hi,
I am new to Jmol so please bear with me.
After loading a xyz structure (caffeine, just to learn the basics), I would
like to print some specific data after a minimization procedure. It seems
that Jmol can output angle bending, bond stretching, torsions, etc. from UFF
depending upon a flag (option ?) called iType as found in
org.jmol.minimize.forcefield (
http://java2s.com/Open-Source/Java-Document/Science/jmol-12.0/org/jmol/minimize/forcefield/CalculationsUFF.java.htm
)
at the end, where getDebugHeader is defined.
I ingenuously tried "set debug" at the console in hope of getting this
information but no luck.
If someone can shed some light, it will be deeply appreciated.
Thank you,
Jen.
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