mmtbx.ions.svm.dump_sites module

A script to open a model and its data and dump out all information about its ions sites to a pickle file.

Run this module with:

phenix.python -m mmtbx.ions.svm.dump_sites [args]

mmtbx.ions.svm.dump_sites.dump_sites(manager)

Iterate over all the ions and waters built into the model and dump out information about their properties.

Parameters:

manager (mmtbx.ions.identify.manager)

Return type:

list of tuple of mmtbx.ions.environment.ChemicalEnvironment, mmtbx.ions.environment.ScatteringEnvironment

mmtbx.ions.svm.dump_sites.master_phil()