- Chimera-users - RBVI Mailing Lists

chimera error message
by Michael Zimmermann 10 Apr '09

10 Apr '09

Dear Chimera Staff, I have been trying to learn to use your object model. My goal is to read in an electron density map in CCP4 format downloaded from emdatabank.org and parse out the 3D matrix of electron density values. However, to get started I was trying to just access atomic information in a sample PDB format file (like atomic coordinates). Running through a few of your examples though has proven confusing to me. The following are commands that I have entered into the IDLE. I am using alpha version 1.3 build 2577. >>> import chimera >>> opened = chimera.openModels.open('C:\DOCUME~1\Administrator\MYDOCU~1\MATLAB\\ribosome\\70s.pdb') >>> mol = opened[0] >>> from chimera.colorTable import getColorByName >>> red = getColorByName('red') >>> mol.color = red Traceback (most recent call last): File "<pyshell#42>", line 1, in <module> mol.color = red ValueError: underlying C++ Molecule object is missing Why is there a module missing? How do I find out what module is missing and add it? >>> red.name <built-in method name of _chimera.MaterialColor object at 0x0F1AAF38> >>> red.rgba <built-in method rgba of _chimera.MaterialColor object at 0x0F1AAF38> What if I want the value displayed rather than the object's ID? Is there a get method that has to be invoked? What would the syntax be? >>> ATOMS = mol.atoms Traceback (most recent call last): File "<pyshell#54>", line 1, in <module> ATOMS = mol.atoms ValueError: underlying C++ Molecule object is missing Again, why is a module missing, how do I find out what module is missing, and how do I add it? Thank you, Michael Z

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reading complex-float mrc files
by Benoit Zuber 10 Apr '09

10 Apr '09

Hi, I was wondering if it is possible to read mrc files where the data type is complex float. I get an error when I try to do that, but maybe there is a way around it (other than converting the data to a non complex type). Typically, this would be useful to read fourier transform volumes. Thanks, Ben -- Benoît Zuber MRC Laboratory of Molecular Biology Hills Road Cambridge CB2 0QH United Kingdom +44 1223 402209 bzuber(a)mrc-lmb.cam.ac.uk

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deleting arrows
by Bala subramanian 10 Apr '09

10 Apr '09

Dear Chimerians, I created one .bild file and loaded it in chimera. When i use del command the object is not getting deleted. open eg.bild del #0 -> now the arrows that are displayed on the screen is not deleted. Why is it so ? Thanks, Bala

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Renaming chains in "combine" command
by Fajer 10 Apr '09

10 Apr '09

Hi, I am a complete newbie to chimera. I have added a loop sequences to using addaa but the new loop has a different chain designation from the rest of the molecule. "Combine" command preserved the differences in chain id. How can I make the new loop chain to be the same id as the host ? peter

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question
by Tatyana Fedotova 09 Apr '09

09 Apr '09

Dear Mrs/Sir, My name is Tatyana and I am new to Chimera. I hope that you can help me with my question. I have opened pdb file with DNA and protein coordinates. I would like to mutate some residues and base pairs. Do you know how I can introduce them? Thank you, Sincerely, Tanya Tatyana Fedotova, Dpt. of Biochemistry & Molecular Biology SUNY Upstate Medical University 750 East Adams Street Syracuse, NY 13210 Cell: 404-386-5950 Office: (315) 464-8734 Fax: (315) 464-8750

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Re: [Chimera-users] chimera difference map
by Eric Pettersen 09 Apr '09

09 Apr '09

On Apr 9, 2009, at 9:23 AM, Negi, Surendra S. wrote: > > Hi Eric, > > I have a quick question related to chimera. Can we use chimera to > calculate the difference map between two EM densities. Hi Surendra, I don't know the answer to this off the top of my head, so I'm cc'ing this to chimera-users, where someone who does know the answer can reply. --Eric

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Modification of b-factor and occupancy
by Tom Goddard 08 Apr '09

08 Apr '09

Tsutomu Matsui wrote: > Hi Tom, > > Is it possible to change b-factor or occupancy of selected atoms, and > then output the coordinates including those changes? > > Tsutomu > Hi Tsutomu, Here are Chimera commands to set bfactor and occupancy of an atom (model #0, residue 13, chain B, atom CA) and write out the PDB: setattr a bfactor 12.3 #0:13.B@CA setattr a occupancy 0.123 #0:13.B@CA write 0 /tmp/test.pdb If you really mean you want change the "selected" atoms use a command like: setattr a bfactor 12.3 sel See the setattr and write documentation for more details. http://www.cgl.ucsf.edu/chimera/docs/UsersGuide/midas/setattr.html http://www.cgl.ucsf.edu/chimera/docs/UsersGuide/midas/write.html Tom

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2drms
by Bala subramanian 08 Apr '09

08 Apr '09

Friends, Kindly help me with the following queries. 1) How to output the 2drms created for a md. trajectory using MD movie tool. 2) Is there any way to select a square box of a particular length around the molecule and save the image for publication with the desired resolution. I have seen in the chimera archieve that window size can be adjusted. I am not sure if this is the right way to get my job done. Thanks, Bala

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Enhancement request Povray
by Marhoefer, R (Richard) 08 Apr '09

08 Apr '09

Dear Development Team, I would like to generate raytraced images without any shadows. The shininess however should be retained. I experimented with modifying the povray output and added the "no_shadow" keyword to all objects included in the file. This did the job. Could you please add a "no_shadow" option to the povray options panel? It would be very helpful. Kind regards, Richard Dr. Richard Marhoefer Senior Scientist BioChemInformatics Intervet Innovation GmbH Zur Propstei 55270 Schwabenheim, Germany E-Mail: richard.marhoefer(a)sp.intervet.com Phone: +49 (6130) 948 204 Fax: +49 (6130) 948 517 Mobile: +49 175 723 081 4 Home http://www.intervet.com Sitz der Gesellschaft: Schwabenheim Amtsgericht Mainz, HRB 23 166 Geschäftsführer: Dr. Peter Schmid -------------------------------------- This message and any attachments are solely for the intended recipient. If you are not the intended recipient, disclosure, copying, use or distribution of the information included in this message is prohibited -- please immediately and permanently delete. --------------------------------------

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python scripts
by christopher lau 07 Apr '09

07 Apr '09

Dear Madam/Sir I am new to Chimera and this forum so I apologize in advance if I my question is inappropriate. I want to start writing python scripts such that I can run the script and the color code, orientation, etc of the molecule opened can be automated. Do you know of any good tutorials that teach what commands are available to use in python for chimera and how to run some basic python scripts in chimera? I have figured out enough to open the Python Shell in Chimera, but that is all. An example python script would be helpful. Thanks everyone, Chris Lau

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