diff --git a/mrdna/readers/segmentmodel_from_pdb.py b/mrdna/readers/segmentmodel_from_pdb.py index c3bae1f0273c2eb46a93c49b55574f2a90d9b82b..ff5f925969e99c723a73bc172855ee75824e8c85 100644 --- a/mrdna/readers/segmentmodel_from_pdb.py +++ b/mrdna/readers/segmentmodel_from_pdb.py @@ -25,7 +25,7 @@ complement = dict(A='T', C='G', T='A', G='C') refUnis = {b:mda.Universe(get_resource_path("generate-nts/1-w3dna/{}{}.pdb".format(b,complement[b]))) for b in bases} -stack_text = "not name O5' P O1P O2P OP1 OP2 O3' H*" +stack_text = "not name O5' P O1P O2P OP1 OP2 O3' 1H* 2H* 3H* 0H* H*" ref_name_ids_inv = dict() for key,val in refUnis.items(): ref_res = val.residues[0]