The alpha hydrogen of monofunctional spin labels seems to be moving when chi1 is altered

StollLab / chiLife

Python package for site-directed spin labeling of proteins

https://stolllab.github.io/chiLife/

GNU General Public License v3.0

10 stars 1 forks source link

Closed mtessmer closed 6 months ago

mtessmer commented 6 months ago

SL = xl.SpinLabel('R1M')
SL.dihedrals =  SL.dihedrals + [180, 0, 0, 0, 0]
xl.save(SL)

mtessmer commented 6 months ago

Fixed by #139