#!/usr/bin/env python import IMP.em import IMP.atom def main(): usage = """%prog [options] Approximate the density threshold to use given the molecular mass of the complex.""" parser = IMP.OptionParser(usage=usage, imp_module=IMP.em) parser.add_option("-p", "--apix", dest="apix", help="voxel size") (options, args) = parser.parse_args() if len(args) != 2: parser.error("incorrect number of arguments") in_map_fn=args[0] num_res=int(args[1]) #read the map dmap=IMP.em.read_map(in_map_fn) if options.apix: dmap.update_voxel_size(float(options.apix)) mass=IMP.atom.get_mass_from_number_of_residues(num_res) t=IMP.em.get_threshold_for_approximate_mass(dmap,mass) print "Mass",mass print "approximated threshold:",t if __name__=="__main__": main()