I want to know the entropy of a protein-ligand, how can I calculate it? Is there a software or package?
MM-PBSA.py module of amber contains harmonic and quasi-harmonic methods for protein-ligand entropy calculations.
http://ambermd.org/tutorials/advanced/tutorial3/py_script/files/MMPBSA_Python_Manual.pdf
Best,
try to use pdbSUMS
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