Opened 6 years ago

Closed 6 years ago

#2716 closed defect (not a bug)

User confused about how to show trajectories

Reported by: chimerax-bug-report@… Owned by: Eric Pettersen
Priority: normal Milestone:
Component: MD/Ensemble Analysis Version:
Keywords: Cc:
Blocked By: Blocking:
Notify when closed: Platform: all
Project: ChimeraX

Description

The following bug report has been submitted:
Platform:        Darwin-18.7.0-x86_64-i386-64bit
ChimeraX Version: 0.91 (2019-09-26)
Description
(Describe the actions that caused this problem to occur here)

Log:
UCSF ChimeraX version: 0.91 (2019-09-26)  
© 2016-2019 Regents of the University of California. All rights reserved.  
How to cite UCSF ChimeraX  

> open "/Users/anais/Dropbox/anais &
tomek/SMOG/modeller/70S_coot_model(cryo)_USE/67A3A3RNC/67A3A3_CG_new.pdb"

Chain information for 67A3A3_CG_new.pdb #1  
---  
Chain | Description  
$ | No description available  
0 | No description available  
1 | No description available  
2 | No description available  
3 | No description available  
6 7 8 9 | No description available  
A | No description available  
B | No description available  
C | No description available  
D | No description available  
E | No description available  
F | No description available  
G | No description available  
H | No description available  
I | No description available  
J | No description available  
K | No description available  
L | No description available  
M | No description available  
N | No description available  
O | No description available  
P | No description available  
Q | No description available  
R | No description available  
S | No description available  
T | No description available  
U | No description available  
V | No description available  
W | No description available  
X | No description available  
Y | No description available  
Z | No description available  
a | No description available  
b | No description available  
c | No description available  
d | No description available  
e | No description available  
f | No description available  
g | No description available  
h | No description available  
i | No description available  
j | No description available  
k | No description available  
l | No description available  
m | No description available  
o | No description available  
p | No description available  
q | No description available  
r | No description available  
s | No description available  
t | No description available  
u | No description available  
v | No description available  
w | No description available  
x | No description available  
y | No description available  
z | No description available  
  

> open "/Users/anais/Dropbox/anais &
tomek/SMOG/modeller/70S_coot_model(cryo)_USE/70S_notRNA_coot.pdb"

Summary of feedback from opening /Users/anais/Dropbox/anais &
tomek/SMOG/modeller/70S_coot_model(cryo)_USE/70S_notRNA_coot.pdb  
---  
warnings | Duplicate atom serial number found: 186  
Duplicate atom serial number found: 186  
Duplicate atom serial number found: 186  
Duplicate atom serial number found: 186  
Duplicate atom serial number found: 186  
48500 messages similar to the above omitted  
  
Chain information for 70S_notRNA_coot.pdb #2  
---  
Chain | Description  
0 | No description available  
1 | No description available  
2 | No description available  
3 | No description available  
6 7 8 9 | No description available  
A | No description available  
B | No description available  
C | No description available  
D | No description available  
E | No description available  
F | No description available  
G | No description available  
H | No description available  
I | No description available  
J | No description available  
K | No description available  
L | No description available  
M | No description available  
N | No description available  
O | No description available  
P | No description available  
Q | No description available  
R | No description available  
S | No description available  
T | No description available  
U | No description available  
V | No description available  
W | No description available  
X | No description available  
Y | No description available  
Z | No description available  
a | No description available  
b | No description available  
c | No description available  
d | No description available  
e | No description available  
f | No description available  
g | No description available  
h | No description available  
i | No description available  
j | No description available  
k | No description available  
l | No description available  
m | No description available  
o | No description available  
p | No description available  
q | No description available  
r | No description available  
s | No description available  
t | No description available  
u | No description available  
v | No description available  
w | No description available  
x | No description available  
y | No description available  
z | No description available  
  

> hide #!1.1 models

> hide #!1.2 models

> show #!1.2 models

> hide #!1 models

> show #!1 models

> hide #!2 models

> hide #!1.2 models

> show #!2 models

> close #1

> open "/Users/anais/Dropbox/anais &
tomek/SMOG/modeller/70S_coot_model(cryo)_USE/31A3A3RNC/31A3A3_CG_new.pdb"

Chain information for 31A3A3_CG_new.pdb #1  
---  
Chain | Description  
$ | No description available  
0 | No description available  
1 | No description available  
2 | No description available  
3 | No description available  
6 7 8 9 | No description available  
A | No description available  
B | No description available  
C | No description available  
D | No description available  
E | No description available  
F | No description available  
G | No description available  
H | No description available  
I | No description available  
J | No description available  
K | No description available  
L | No description available  
M | No description available  
N | No description available  
O | No description available  
P | No description available  
Q | No description available  
R | No description available  
S | No description available  
T | No description available  
U | No description available  
V | No description available  
W | No description available  
X | No description available  
Y | No description available  
Z | No description available  
a | No description available  
b | No description available  
c | No description available  
d | No description available  
e | No description available  
f | No description available  
g | No description available  
h | No description available  
i | No description available  
j | No description available  
k | No description available  
l | No description available  
m | No description available  
o | No description available  
p | No description available  
q | No description available  
r | No description available  
s | No description available  
t | No description available  
u | No description available  
v | No description available  
w | No description available  
x | No description available  
y | No description available  
z | No description available  
  

> close #1

> open "/Users/anais/Dropbox/anais &
tomek/SMOG/modeller/70S_coot_model(cryo)_USE/26A3A3RNC/26A3A3_CG_new.pdb"

Chain information for 26A3A3_CG_new.pdb #1  
---  
Chain | Description  
$ | No description available  
0 | No description available  
1 | No description available  
2 | No description available  
3 | No description available  
6 7 8 9 | No description available  
A | No description available  
B | No description available  
C | No description available  
D | No description available  
E | No description available  
F | No description available  
G | No description available  
H | No description available  
I | No description available  
J | No description available  
K | No description available  
L | No description available  
M | No description available  
N | No description available  
O | No description available  
P | No description available  
Q | No description available  
R | No description available  
S | No description available  
T | No description available  
U | No description available  
V | No description available  
W | No description available  
X | No description available  
Y | No description available  
Z | No description available  
a | No description available  
b | No description available  
c | No description available  
d | No description available  
e | No description available  
f | No description available  
g | No description available  
h | No description available  
i | No description available  
j | No description available  
k | No description available  
l | No description available  
m | No description available  
o | No description available  
p | No description available  
q | No description available  
r | No description available  
s | No description available  
t | No description available  
u | No description available  
v | No description available  
w | No description available  
x | No description available  
y | No description available  
z | No description available  
  

> open "/Users/anais/Dropbox/anais &
tomek/SMOG/modeller/70S_coot_model(cryo)_USE/Results from
Grace/26A3A3RNC_nocontacts/Sim1/traj1_comp.xtc"

Must specify a structure model to read the coordinates into  

> open "/Users/anais/Dropbox/anais &
tomek/SMOG/modeller/70S_coot_model(cryo)_USE/Results from
Grace/26A3A3RNC_nocontacts/Sim1/traj1_comp.xtc"

Must specify a structure model to read the coordinates into  

> open 1qfh

1qfh title:  
Dimerization of gelation factor from dictyostelium discoideum: crystal
structure of rod domains 5 and 6 [more info...]  
  
Chain information for 1qfh #3  
---  
Chain | Description  
A B | protein (gelation factor)  
  
  

> close #3

> select #1

20741 atoms, 2 bonds, 11552 pseudobonds, 3 models selected  

> open "/Users/anais/Dropbox/anais &
tomek/SMOG/modeller/70S_coot_model(cryo)_USE/Results from
Grace/26A3A3RNC_nocontacts/Sim1/traj1_comp.xtc"

Must specify a structure model to read the coordinates into  
Downloading bundle MolecularDynamicsViewer-1.1-py3-none-any.whl  
Successfully installed MolecularDynamicsViewer-1.1  
Installed MolecularDynamicsViewer (1.1)  

> toolshed show "Molecular Dynamics Viewer"

Please register the custom scheme 'kmd' via
QWebEngineUrlScheme::registerScheme() before installing the custom scheme
handler.  

Traceback (most recent call last):  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/gui.py", line 571, in customEvent  
func(*args, **kw)  
File "/Users/anais/Library/Application Support/ChimeraX/0.91/site-
packages/com/kdiller/dynamics/viewer/gui.py", line 57, in handle_scheme  
self.openFile()  
File "/Users/anais/Library/Application Support/ChimeraX/0.91/site-
packages/com/kdiller/dynamics/viewer/gui.py", line 227, in openFile  
self.atomStruct.atoms.coords = self.atomLocation[0]  
IndexError: list index out of range  
  
IndexError: list index out of range  
  
File "/Users/anais/Library/Application Support/ChimeraX/0.91/site-
packages/com/kdiller/dynamics/viewer/gui.py", line 227, in openFile  
self.atomStruct.atoms.coords = self.atomLocation[0]  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/gui.py", line 571, in customEvent  
func(*args, **kw)  
File "/Users/anais/Library/Application Support/ChimeraX/0.91/site-
packages/com/kdiller/dynamics/viewer/gui.py", line 57, in handle_scheme  
self.openFile()  
File "/Users/anais/Library/Application Support/ChimeraX/0.91/site-
packages/com/kdiller/dynamics/viewer/gui.py", line 227, in openFile  
self.atomStruct.atoms.coords = self.atomLocation[0]  
IndexError: list index out of range  
  
IndexError: list index out of range  
  
File "/Users/anais/Library/Application Support/ChimeraX/0.91/site-
packages/com/kdiller/dynamics/viewer/gui.py", line 227, in openFile  
self.atomStruct.atoms.coords = self.atomLocation[0]  
  
See log for complete Python traceback.  
  
Traceback (most recent call last):  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/gui.py", line 571, in customEvent  
func(*args, **kw)  
File "/Users/anais/Library/Application Support/ChimeraX/0.91/site-
packages/com/kdiller/dynamics/viewer/gui.py", line 57, in handle_scheme  
self.openFile()  
File "/Users/anais/Library/Application Support/ChimeraX/0.91/site-
packages/com/kdiller/dynamics/viewer/gui.py", line 227, in openFile  
self.atomStruct.atoms.coords = self.atomLocation[0]  
IndexError: list index out of range  
  
IndexError: list index out of range  
  
File "/Users/anais/Library/Application Support/ChimeraX/0.91/site-
packages/com/kdiller/dynamics/viewer/gui.py", line 227, in openFile  
self.atomStruct.atoms.coords = self.atomLocation[0]  
  
See log for complete Python traceback.  
  

> toolshed show "Molecular Dynamics Viewer"

Please register the custom scheme 'kmd' via
QWebEngineUrlScheme::registerScheme() before installing the custom scheme
handler.  

Traceback (most recent call last):  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/gui.py", line 571, in customEvent  
func(*args, **kw)  
File "/Users/anais/Library/Application Support/ChimeraX/0.91/site-
packages/com/kdiller/dynamics/viewer/gui.py", line 57, in handle_scheme  
self.openFile()  
File "/Users/anais/Library/Application Support/ChimeraX/0.91/site-
packages/com/kdiller/dynamics/viewer/gui.py", line 227, in openFile  
self.atomStruct.atoms.coords = self.atomLocation[0]  
IndexError: list index out of range  
  
IndexError: list index out of range  
  
File "/Users/anais/Library/Application Support/ChimeraX/0.91/site-
packages/com/kdiller/dynamics/viewer/gui.py", line 227, in openFile  
self.atomStruct.atoms.coords = self.atomLocation[0]  
  
See log for complete Python traceback.  
  

> open "/Users/anais/Dropbox/anais &
tomek/SMOG/modeller/70S_coot_model(cryo)_USE/Results from
Grace/26A3A3_starting_models/Frame3.pdb"

Summary of feedback from opening /Users/anais/Dropbox/anais &
tomek/SMOG/modeller/70S_coot_model(cryo)_USE/Results from
Grace/26A3A3_starting_models/Frame3.pdb  
---  
warnings | Ignored bad PDB record found on line 3  
  
  
Ignored bad PDB record found on line 5  
  
  
Ignored bad PDB record found on line 7  
  
  
Ignored bad PDB record found on line 9  
  
  
Ignored bad PDB record found on line 11  
  
  
20736 messages similar to the above omitted  
  
Chain information for Frame3.pdb #3  
---  
Chain | Description  
$ | No description available  
0 | No description available  
1 | No description available  
2 | No description available  
3 | No description available  
6 7 8 9 | No description available  
A | No description available  
B | No description available  
C | No description available  
D | No description available  
E | No description available  
F | No description available  
G | No description available  
H | No description available  
I | No description available  
J | No description available  
K | No description available  
L | No description available  
M | No description available  
N | No description available  
O | No description available  
P | No description available  
Q | No description available  
R | No description available  
S | No description available  
T | No description available  
U | No description available  
V | No description available  
W | No description available  
X | No description available  
Y | No description available  
Z | No description available  
a | No description available  
b | No description available  
c | No description available  
d | No description available  
e | No description available  
f | No description available  
g | No description available  
h | No description available  
i | No description available  
j | No description available  
k | No description available  
l | No description available  
m | No description available  
o | No description available  
p | No description available  
q | No description available  
r | No description available  
s | No description available  
t | No description available  
u | No description available  
v | No description available  
w | No description available  
x | No description available  
y | No description available  
z | No description available  
  

> close #1

> toolshed show "Molecular Dynamics Viewer"

Please register the custom scheme 'kmd' via
QWebEngineUrlScheme::registerScheme() before installing the custom scheme
handler.  

Traceback (most recent call last):  
File
"/Applications/ChimeraX_Daily.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-
packages/chimerax/ui/gui.py", line 571, in customEvent  
func(*args, **kw)  
File "/Users/anais/Library/Application Support/ChimeraX/0.91/site-
packages/com/kdiller/dynamics/viewer/gui.py", line 57, in handle_scheme  
self.openFile()  
File "/Users/anais/Library/Application Support/ChimeraX/0.91/site-
packages/com/kdiller/dynamics/viewer/gui.py", line 227, in openFile  
self.atomStruct.atoms.coords = self.atomLocation[0]  
IndexError: list index out of range  
  
IndexError: list index out of range  
  
File "/Users/anais/Library/Application Support/ChimeraX/0.91/site-
packages/com/kdiller/dynamics/viewer/gui.py", line 227, in openFile  
self.atomStruct.atoms.coords = self.atomLocation[0]  
  
See log for complete Python traceback.  
  




OpenGL version: 4.1 INTEL-12.10.14
OpenGL renderer: Intel(R) Iris(TM) Plus Graphics 640
OpenGL vendor: Intel Inc.

Change History (2)

comment:1 by Eric Pettersen, 6 years ago

Component: UnassignedMD/Ensemble Analysis
Owner: set to Eric Pettersen
Platform: all
Project: ChimeraX
Status: newaccepted
Summary: ChimeraX bug report submissionUser confused about how to show trajectories

comment:2 by Eric Pettersen, 6 years ago

Resolution: not a bug
Status: acceptedclosed
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