ll of the data generated in your IT infrastructure is seriously valuable.
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Michael Zimmermann
Ph.D. student in Bioinformatics and Computational Biology
Department of Biochemistry, Biophysics and Molecular Biology
Iowa State University
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OL-users mailing list (PyMOL-users@lists.sourceforge.net)
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Dear PyMOL users,
I was using Action -> find -> polar interactions within selection
to get an idea about the hydrogen bonds and other polar interactions
in some molecules. I would like to compare different conformations of
a certain molecule and one metric could be the number of pair returned
by
one option would be to make intermediates based on linear
interpolation and then make a movie of the "morph." Gerstein's group
has done some work at this.
http://www2.molmovdb.org/wiki/info/index.php/Morph_Server
If you just want to visualize them together my suggestion would be to:
show one of t
I have no experience with fuse, but my guess would be Mariana might
want to just use 'bond' and translate one termini as needed. If she
doesn't want to "manually" translate, there is always energy
minimization to correct bond lengths.
Take Care.
On Tue, Dec 8, 2009 at 12:59 AM, Nir London wrote:
Dr. Vertrees, thank you for the thorough reply to Saeid's question. I just
wanted to note that you don't have to install all of PyMol from source to
use CE. You can set up CE and just run it when you want it, like other
python add-ons. That might not be the case for the most recent version
thoug
atoms in an
object that are near to these density levels? Alternatively, can you
turn a map into an object that can be used in this way (fill it with
dummy atoms)?
Thank you,
Michael Zimmermann
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This SF.Net email is
Another idea would be to use enable/disable. Load all the structures
and then only have one enabled at a time
load frame1.pdb, morph_frame1
. . .
load frame20.pdb, morph_frame20
disable *frame*
enable *frame1
take a picture
disable *frame1
enable *frame2
take a picture
repeat
A bit tedio
If you have a lot of files to do this to, I would suggest learning at
least a little bit of perl. It might not be as nice an option as a
python tab manager (depending on your point of view), though.
Perl uses regular expressions. In case you'd like to see how to do
your tab-space replacement, th
Dear PyMOL users,
I have browsed the wiki and the first 300 mailing list messages in the
archive (the sourceforge archive does not seem to have a search set up
for the archive... arg!), but did not find any details about the
algorithms behind 'fit' and 'super.' I understand how align works,
and i
ion
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ot;png"
then it runs considerably slower than if I open the GUI and run the
script. I'm doing this to automate frame generation for movie making.
Any idea why this would be and how to make the system call at least
as fast as running the GUI?
I use:
Windows XP 64-bit SP2
PyMOL v. 1.2r
L 35487-0336
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UME~1\Administrator\MYDOCU~1\MATLAB\Motion_conservation\PF07966\PF_1htr.pdb,
prot
Save: wrote
"C:\DOCUME~1\Administrator\MYDOCU~1\MATLAB\Motion_conservation\PF07966\PF_1htr.pdb".
PyMOL>delete all
-
;
> On Tue, May 4, 2010 at 10:58 PM, Michael Zimmermann
> wrote:
>
>> Dear PyMOL users,
>>
>> I was just making a script to selectively download sections of PDB files
>> using fetch. When I run the pml from the GUI I see that all of the commands
>> are execut
rge.net)
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Michael Zimmermann
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Departm
else fails.
>
> Thanks for your time,
>
> Tom
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Michael Zimmermann
Ph.D. student in Bioinformatics and Co
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Iowa State Unive
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Department of Biochemistry, Biophysics and Molecular Biology
Iowa State Univer
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