When I use automodel class to generate N models, the energy MolPDF of every model will be displayed in the log file, e.g. =========================================== >> Summary of successfully produced models: Filename molpdf ---------------------------------------- T0291.B99990001.pdb 2029.54651 T0291.B99990002.pdb 2719.03467 T0291.B99990003.pdb 2009.53479 T0291.B99990004.pdb 2688.20435 T0291.B99990005.pdb 2311.00342 =========================================== But, sometimes, after the models got be refined by some other means, how can I get those changed molpdf by handling the existed PDB files, rather than to involve the automodel class again to rebuild such models?
I think "examples/commands/energy.py" in node151.html of the manual may help me, but I wonder whether the molpdf got by this method is identical to that recorded in log file.