I have a couple of question regarding how to visualize detailed information about the final score of a model and the Metropolis criteria:
Is there a way to show/determine each particle contribution to
the final score (i.e. is it possible to determine the amount of restraints
fulfilled by each particle of the model)?
About the temperature in the Monte Carlo optimizer. The
get_temperature() method returns the temperature set for the Metropolis
criteria. Is there a way to show how the temperature decreases during
the optimization protocol?
Thanks in advance! Davide
____________ Davide BaÃ
Structural Genomics Unit
Bioinformatics & Genomics Department, Prince Felipe Research Center
Avda. Autopista del Saler, 16 , 46012 Valencia, Spain
Tel: +34 96 328 96 80 (ext. 1021) Fax: +34 96 328 97 01
Email: ">
Web: http://sgu.bioinfo.cipf.es/dbau