projects
/
django_unres.git
/ commitdiff
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
| commitdiff |
tree
raw
|
patch
|
inline
| side by side (parent:
b8d7239
)
dock adv correction seq2
author
Cezary Czaplewski
<czarek@chem.univ.gda.pl>
Thu, 27 Feb 2020 09:49:51 +0000
(10:49 +0100)
committer
Cezary Czaplewski
<czarek@chem.univ.gda.pl>
Thu, 27 Feb 2020 09:49:51 +0000
(10:49 +0100)
django_simple/todo/views.py
patch
|
blob
|
history
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"]
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"
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)
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
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)
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
task.boxx=(box1+box2)*1.2+20
task.boxy=(box1+box2)*1.2+20
task.boxz=(box1+box2)*1.2+20