Optimized Hbonds
jlorieau opened this issue · comments
For sites with multiple hbond options, check the multiple options and their energies, and keep the best one(s).
A simple python module for reading, writing, fetching and manipulating biomolecules
jlorieau opened this issue · comments
For sites with multiple hbond options, check the multiple options and their energies, and keep the best one(s).