Hi... It's possible run a Chimera's command iteratively? I have loaded several structures (more than 300) and i want to superimposed them to a reference structure. How i perform the matching command for every structure iteratively? Thanks -- Lic. Yasser Almeida Hernández Center of Molecular Inmunology (CIM) Nanobiology Group P.O.Box 16040, Havana, Cuba Phone: (537) 271-7933, ext. 221 ---------------------------------------------------------------- Correo FENHI
Hi, Chimera command scripts do not have looping, but you could combine Chimera commands or Chimera command files with shell or python scripts that do the looping. Here are some previous posts that might be helpful: <http://www.cgl.ucsf.edu/pipermail/chimera-users/2007-March/001417.html> <http://www.cgl.ucsf.edu/pipermail/chimera-users/2009-August/ 004222.html> <http://www.cgl.ucsf.edu/pipermail/chimera-users/2008-October/003160.html
Best, Elaine ----- Elaine C. Meng, Ph.D. UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab Department of Pharmaceutical Chemistry University of California, San Francisco On Jan 7, 2010, at 2:30 PM, Yasser Almeida Hernández wrote:
It's possible run a Chimera's command iteratively? I have loaded several structures (more than 300) and i want to superimposed them to a reference structure. How i perform the matching command for every structure iteratively?
On Jan 7, 2010, at 2:30 PM, Yasser Almeida Hernández wrote:
Hi... It's possible run a Chimera's command iteratively? I have loaded several structures (more than 300) and i want to superimposed them to a reference structure. How i perform the matching command for every structure iteratively?
Thanks
Hi Yasser, You will need to resort to Python, though a simple script would do it. Assuming you are using the matchmaker command to do the matching, and that the reference structure is open as model 0, then... from chimera import runCommand numModels = 350 for modelNum in range(1, numModels+1): runCommand("mmaker #0 #" + str(modelNum)) Put the above in a .py file and open it using File...Open or the "open" command. Change "350" in the script to however models you have. --Eric Eric Pettersen UCSF Computer Graphics Lab http://www.cgl.ucsf.edu
participants (3)
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Elaine Meng -
Eric Pettersen -
Yasser Almeida Hernández