[PyMOL] SS in a trajectory

2013-04-24 Thread Jianghai Zhu
Hi,

I have a trajectory file, in which two short helices would merge into one long 
helix.  However, when I play the trajectory in Pymol as cartoon, the long helix 
would still be shown as two helices with a loop in between.  Is there a way to 
force Pymol to show a long helix for a specific range of frames in a 
trajectory? Thanks a lot.

--Jianghai


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Re: [PyMOL] SS in a trajectory

2013-04-24 Thread Thomas Evangelidis
If none suggests a solution in PyMOL ten use sscache.tcl script in VMD to
update the SS at every frame.

Thomas

On 24 April 2013 17:31, Jianghai Zhu j...@idi.harvard.edu wrote:

 Hi,

 I have a trajectory file, in which two short helices would merge into one
 long helix.  However, when I play the trajectory in Pymol as cartoon, the
 long helix would still be shown as two helices with a loop in between.  Is
 there a way to force Pymol to show a long helix for a specific range of
 frames in a trajectory? Thanks a lot.

 --Jianghai



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==

Thomas Evangelidis

PhD student
University of Athens
Faculty of Pharmacy
Department of Pharmaceutical Chemistry
Panepistimioupoli-Zografou
157 71 Athens
GREECE

email: tev...@pharm.uoa.gr

  teva...@gmail.com


website: https://sites.google.com/site/thomasevangelidishomepage/
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Re: [PyMOL] SS in a trajectory

2013-04-24 Thread Robert Campbell
Hi,

On Wed, 2013-04-24 10:31  EDT,  Jianghai Zhu j...@idi.harvard.edu wrote:

 Hi,
 
 I have a trajectory file, in which two short helices would merge into one
 long helix.  However, when I play the trajectory in Pymol as cartoon, the
 long helix would still be shown as two helices with a loop in between.
 Is there a way to force Pymol to show a long helix for a specific range
 of frames in a trajectory? Thanks a lot.

When you load the trajectory, use the discrete flag to have PyMOL computer
the secondary structure for each state .

load trajectory.pdb, discrete=1

I'm assuming you are loading a multi-model .PDB file as the trajectory.  If
you are using the load_traj command to load an AMBER trajectory, there is
no similar option.

Cheers,
Rob
-- 
Robert L. Campbell, Ph.D.
Senior Research Associate/Adjunct Assistant Professor
Dept. of Biomedical  Molecular Sciences
Botterell Hall Rm 644
Queen's University, 
Kingston, ON K7L 3N6  Canada
Tel: 613-533-6821
robert.campb...@queensu.cahttp://pldserver1.biochem.queensu.ca/~rlc

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