I have number of peptide structures. I want to calculate the number of active rotatable bonds in those peptides. I am looking for script or any software which calculates it.
yeah Hie piyush, there is one very simple way to do this is...open Autodock > Ligand > open ur peptide (it will give u a message no. of rotatable bonds : Supp 49) now if you want to decrease no. of rotatable bonds go to LIGAND > TORSION tree > Choose torsions there it will give you whole details..green color : bonds rotatable and if you click on green color bonds using shift and click it changes to magenta then that bond becomes non-rotatable