Jump to content
Main menu
Main menu
move to sidebar
hide
Navigation
Main page
Recent changes
Random page
Help
Special pages
SBGrid Resources
SBGrid Consortium
SBGrid Data Bank
Software Webinars
PyMOL Webinar
PyMOL Wiki
Search
Search
Appearance
Create account
Log in
Personal tools
Create account
Log in
Pages for logged out editors
learn more
Contributions
Talk
Editing
Cealign plugin
(section)
Page
Discussion
English
Read
Edit
View history
Tools
Tools
move to sidebar
hide
Actions
Read
Edit
View history
General
What links here
Related changes
Page information
Appearance
move to sidebar
hide
Warning:
You are not logged in. Your IP address will be publicly visible if you make any edits. If you
log in
or
create an account
, your edits will be attributed to your username, along with other benefits.
Anti-spam check. Do
not
fill this in!
=== The Function SimpAlign() is not found === '''Problem''': Running CE Align gives the following error message: <source lang="python"> PyMOL>cealign 1CLL,1GGZ Traceback (most recent call last): File "C:\Program Files (x86)\DeLano Scientific\PyMOL/modules\pymol\parser.py", line 203, in parse result=apply(kw[nest][0],args[nest],kw_args[nest]) File "py24/Lib/cealign.py", line 177, in cealign curScore = simpAlign( matA, matB, mol1, mol2, stored.mol1, stored.mol2, align=0, L=len(matA) ) NameError: global name 'simpAlign' is not defined </source> I am running PyMOL v. 0.99rc6 on Win XP Professional x64 edition version 2003 sp2 and have followed the windows install procedure as described above. '''Answer''': This simply means that PyMOL couldn't find the simplAlign function. To let PyMOL know about this, you must run the following commands before running [[cealign]]: <source lang="python"> run /your/path/to/cealign/qkabsch.py run /your/path/to/cealign/cealign.py </source> but most people that use cealign would just put these two lines in their '''.pymolrc''' file.
Summary:
Please note that all contributions to PyMOL Wiki are considered to be released under the GNU Free Documentation License 1.2 (see
PyMOL Wiki:Copyrights
for details). If you do not want your writing to be edited mercilessly and redistributed at will, then do not submit it here.
You are also promising us that you wrote this yourself, or copied it from a public domain or similar free resource.
Do not submit copyrighted work without permission!
Cancel
Editing help
(opens in new window)
Search
Search
Editing
Cealign plugin
(section)
Add topic