ample.util.mrbump_cmd module¶

Created on 28 Feb 2013

@author: jmht

keyword_dict(ensemble_pdb, name, amoptd, extra_options={})[source]¶

Extract the mrbump keywords from the main ample dictionary and add/change any from the extra_options dict

mrbump_cmd(name, mtz, mr_sequence, keyword_file)[source]¶

Return the command to run mrbump

mrbump_keyword_file(odict, fixed_iden=0.6)[source]¶

Create MRBUMP keywords

Args: odict – dictionary of options

jmht - check fixed_iden - 0.6 if not specified