from __future__ import print_function import IMP import IMP.pmi1 import IMP.pmi1.analysis import IMP.pmi1.output import IMP.atom import glob rmfs=glob.glob("kmeans_weight_0_500_1//cluster.0/*.rmf3") selection_dictionary={"beta_ANT_MG6beta":[(1,645,"beta"),(727,745,"alpha"),(746,805,"alpha")], "ANA":[(650,726,"alpha")], "MG7":[(806,911,"alpha")], "CUBf_CUBg":[(912,962,"alpha"),(1269,1330,"alpha")], "TED":[(963,1268,"alpha")], "MG8":[(1331,1474,"alpha")], "Anchor_C345C":[(1475,1495,"alpha"),(1496,1641,"alpha")]} model=IMP.Model() frames=[0]*len(rmfs) model=IMP.Model() pr=IMP.pmi1.analysis.Precision(model,1, selection_dictionary=selection_dictionary) #pr.set_precision_style('pairwise_drmsd_k') pr.add_structures(zip(rmfs,frames), 'all') refrmf='../c3b-native/native.rmf3' pr.set_reference_structure(refrmf,0) print(pr.get_rmsd_wrt_reference_structure_with_alignment('all',"beta_ANT_MG6beta"))