dock adv correction seq2

diff --git a/django_simple/todo/views.py b/django_simple/todo/views.py
index 1136355..91edba6 100644 (file)
--- a/django_simple/todo/views.py
+++ b/django_simple/todo/views.py
@@ -861,6 +861,12 @@ def add_dock_a(request,task_id):
               task.pdbcode2=pdbid2
              else:
               task.myfile2=form.cleaned_data["file2"]
+              if not task.myfile2:
+                seq2=seq_add_x(form.cleaned_data["md_seq"])
+                task.md_seq2=seq2
+              else:
+                seq2,ssbond2=from_pdb(task.myfile2)
+              
 
              task.md_ntwx=task.remd_nstex 
              task.md_start="pdbstart"
@@ -872,7 +878,6 @@ def add_dock_a(request,task_id):
              task.md_seq=""
 
              seq1,ssbond1=from_pdb(task.myfile1)
-             seq2,ssbond2=from_pdb(task.myfile2)
              
              if seq1[-1]=='X' and seq2[0]=='X':
               seq=seq1+seq2
@@ -907,7 +912,10 @@ def add_dock_a(request,task_id):
               task.damino=True
 
              box1=dock_box(task.myfile1)
-             box2=dock_box(task.myfile2)
+             if task.myfile2:
+              box2=dock_box(task.myfile2)
+             else:
+              box2=len(task.md_seq2)*2.0
              task.boxx=(box1+box2)*1.2+20
              task.boxy=(box1+box2)*1.2+20
              task.boxz=(box1+box2)*1.2+20