Sophia Bailing Zhou's repositories
cpptraj-H-bond-analysis-difference
Calculates change of H bond frequency (stability), average angle and average distance from cpptraj hbond output files and creates a sortable, color coded excel table. The Alignkeys submodule was created by excelforum user shg.
Rounding-to-significant-digit
Rounding of uncertainties and measurement values to significant digit as specified by DIN1333