[modeller_usage] calculate energy for a given structure with MODELLER's C API and derivative with respect to all coordinates (x, y, z)

[Valerio Lupperger <valerio.lupperger@gmx.net>]

Hi,
 
I use MODELLER (9.10) in a c-program like in
http://salilab.org/modeller/manual/node456.html. As input I have one
structure and its restraints. Is it possible to calculate energy for the
given structure with MODELLER's C API and derivative with respect to all
coordinates (x,y,z)? And if so, how is it possible?

Thanks,
Valerio