From 2c518f1a6af2ad7fd53bcde92c9503aadeee8006 Mon Sep 17 00:00:00 2001
From: Chris Maffeo <cmaffeo2@illinois.edu>
Date: Mon, 10 Sep 2018 16:11:13 -0500
Subject: [PATCH] Generalized stack selection in pdb reader
---
mrdna/readers/segmentmodel_from_pdb.py | 2 +-
1 file changed, 1 insertion(+), 1 deletion(-)
diff --git a/mrdna/readers/segmentmodel_from_pdb.py b/mrdna/readers/segmentmodel_from_pdb.py
index c3bae1f..ff5f925 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]
--
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