Question regarding multiple mutant in the same chimera session

Hi, Is there a way to copy, in the same instance of chimera, a model X time? I'd like to generate different mutant of the same prot and have them stocked in the same session of chimera. Cheers, JD -- Dr. Jean-Didier Maréchal Assistant Professor Computational Bioorganic and Bioinorganic Chemistry @Transmet Unitat de Química Física Departament de Química Universitat Autònoma de Barcelona 08193 Bellaterra, Spain Tel: +34.(0)1935814936 Fax: +34.(0)1935812920 e-mail:jeandidier.marechal@uab.es

Hi JD, Currently there is no "copy model" feature for atomic coordinates (at least in the user interface... perhaps doable with a script). I usually just open the same input file several times and then manipulate the individual copies separately. Best, Elaine ----- Elaine C. Meng, Ph.D. meng@cgl.ucsf.edu UCSF Computer Graphics Lab and Babbitt Lab Department of Pharmaceutical Chemistry University of California, San Francisco http://www.cgl.ucsf.edu/home/meng/index.html On Dec 18, 2007, at 9:16 AM, Jean-Didier Maréchal wrote:
Hi, Is there a way to copy, in the same instance of chimera, a model X time? I'd like to generate different mutant of the same prot and have them stocked in the same session of chimera. Cheers, JD

Hi JD, There is another way I didn't think of earlier, if you want to "clone" a model after making several changes instead of having to make the same changes to each copy. Open the structure, make the changes, save a session. Then, repeatedly open the session, which will put additional copies of the first model in successive model numbers if you answer "No" when prompted whether the existing model(s) should be closed. However, if you will be doing H-bond or clash detection either independently or within swapaa or Rotamers, I recommend against stacking the structures, as that will affect the calculations. The same problem applies to opening the same PDB file multiple times. Best, Elaine ----- Elaine C. Meng, Ph.D. meng@cgl.ucsf.edu UCSF Computer Graphics Lab and Babbitt Lab Department of Pharmaceutical Chemistry University of California, San Francisco http://www.cgl.ucsf.edu/home/meng/index.html On Dec 18, 2007, at 9:16 AM, Jean-Didier Maréchal wrote:
Hi,
Is there a way to copy, in the same instance of chimera, a model X time? I'd like to generate different mutant of the same prot and have them stocked in the same session of chimera.
Cheers, JD

Correction: it is possible to make H-bond detection ignore other models - the GUIs and commands have options to do that. AddH is always affected by all other models, however. Findclash is always affected by all other models unless you designate only atoms within the same model and indicate they should only be checked for clashes among themselves. Elaine On Dec 18, 2007, at 3:05 PM, Elaine Meng wrote:
Hi JD, There is another way I didn't think of earlier, if you want to "clone" a model after making several changes instead of having to make the same changes to each copy.
Open the structure, make the changes, save a session. Then, repeatedly open the session, which will put additional copies of the first model in successive model numbers if you answer "No" when prompted whether the existing model(s) should be closed.
However, if you will be doing H-bond or clash detection either independently or within swapaa or Rotamers, I recommend against stacking the structures, as that will affect the calculations. The same problem applies to opening the same PDB file multiple times.
participants (2)
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Elaine Meng
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Jean-Didier Maréchal