From e2e36679ef19186908b21dfa586df5af0c3d6710 Mon Sep 17 00:00:00 2001 From: Cezary Czaplewski Date: Thu, 7 Sep 2017 17:35:43 +0200 Subject: [PATCH] ssbond with 1st res <> 1 --- django_simple/todo/views.py | 6 ++++++ 1 file changed, 6 insertions(+) diff --git a/django_simple/todo/views.py b/django_simple/todo/views.py index 90d05e2..37f4dd1 100644 --- a/django_simple/todo/views.py +++ b/django_simple/todo/views.py @@ -34,10 +34,13 @@ def seq_add_x(sequence): def from_pdb(file): sequence = [] ssbond = [] + ires = [] for line in file: if line[0:6] == 'ATOM ' and line[13:15] == 'CA': aa = three_to_one.get(line[17:20]) sequence.append(aa) + i = int(line[24:26]) + ires.append(i) if line[0:3] == 'TER': sequence.append('XX') if line[0:6] == 'SSBOND': @@ -56,6 +59,9 @@ def from_pdb(file): if sequence[-1] != 'G': sequence.append('X') seq=''.join(sequence) + if ires[0] != 1: + ssbond=[ [e[0]-ires[0]+1,e[1]-ires[0]+1] for e in ssbond] + return seq,ssbond -- 1.7.9.5