Mole:UserManual
Biomacromolecular channels and pores play significant biological roles, e.g., in molecular recognition and enzyme substrate specificity. We present an advanced software tool entitled MOLE 2.5, which has been designed to analyze molecular channels and pores. Benchmark tests against other available software tools showed that MOLE 2.5 is by comparison quicker, more robust and more versatile. As a new feature, MOLE 2.5 estimates physicochemical properties of the identified channels.