search

MolBioMedUAB / RCBS.py

RCBS.py (Reactivity of Chemical and Biochemical Systems) is a Python package that contains several scripts, functions and classes that simplify the analysis of chemical and biochemical simulations.
MIT License
3 stars 0 forks source link

H bond analyser #10

Open mikicanyelles opened 1 year ago

mikicanyelles commented 11 months ago

It should detect N/O/F-H···N/O/F contacts (under 4 Å) and a N/O/F-H-N/O/F angle (180 ± 30º)