When using the Python API, the documentation now says to call removeHeterogens() before findMissingAtoms(). Aside from fixing this one problem, it doesn't actually matter which order you call them in, so existing scripts will continue to work as well as they did before. But you really should reorder the calls in your scripts to avoid this problem.
Fixes #151.
When using the Python API, the documentation now says to call
removeHeterogens()beforefindMissingAtoms(). Aside from fixing this one problem, it doesn't actually matter which order you call them in, so existing scripts will continue to work as well as they did before. But you really should reorder the calls in your scripts to avoid this problem.