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I would like to add a protein-RNA cross-link restraint to my
representation. Is this possible at all in IMP? I tried to use a csv file similar to polii_juri.csv which is given in the IMP tutorial (https://integrativemodeling.org/2.6.2/doc/manual/rnapolii_stalk.html): prot1,res1,prot2,res2 RNA_component,345,protein_component,49 But this failes when I read it with IMP.pmi.restraints.crosslinking.ISDCrossLinkMS ISDCrossLinkMS: WARNING> residue 345 of chain RNA_component is not there Nevertheless, if I run: list_of_residues=[(345,"RNA_component")] for res in list_of_residues: particles=IMP.pmi.tools.select(representation,resolution=10,name=res[1],residue=res[0]) if len(particles)>1 : print(res[0],res[1],"more that one particle selected"); continue if len(particles)==0 : print (res[0],res[1],"no particle was selected"); continue print(res[0],res[1],IMP.core.XYZR(particles[0]).get_radius()) I get: 345 RNA_component 10.307014164455413 Thanks in advance! Genis |