- Chimera-users - RBVI Mailing Lists

creating a new color palette - viridis
by Saladi, Shyam M. 22 Mar '19

22 Mar '19

Hello -- I see that a number of color palettes were added to chimera a little more than a year ago now: http://plato.cgl.ucsf.edu/pipermail/chimera-users/2017-September/013872.html I would like to try using viridis (https://bids.github.io/colormap/) instead of standard rainbow/spectrum for coloring a protein from its N to C termini. Would someone be able to give me direction on how to create a new a color palette to do this? The RGB values making up viridis can directly be found here: here: https://github.com/BIDS/colormap/blob/master/colormaps.py Thanks, Shyam

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Using Chimera _ Query
by Hina Khan 22 Mar '19

22 Mar '19

Dear team, I would like to know if I can use images generated and modified using Chimera 1.13.1 in my master's thesis. I look forward to having your response. Sincerely, Hina

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Constrainted fitting
by Christoph Wigge 22 Mar '19

22 Mar '19

Dear all, I would like to fit two protein monomers that form a dimer into an em density map. I know from previous mutagenesis studies that the binding takes place with two tryptophan residues and the counterpart binding pocket. How can I set this interaction as fixed so that chimera fits the rest of the molecule according to the density map without continuously changing this part of the essential protein protein interaction? I would like to fit that interaction manually and then exclude it from the automatic procedure. Thank you very much in advance. Bests Christoph Wigge

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(no subject)
by JOHN FLANAGAN 21 Mar '19

21 Mar '19

Hi I was trying to use the volume eraser to remove density outside of a sphere on my em map. When I enabled keyboard shortcuts and then used the shortcut command eo what I got back was an identical copy to the original, i.e. no erasure. If I used es then everything in the circle was erased as expected. Am I missing something? CheersJohn John M. Flanagan PhD. Professor Department of Biochemistry and Molecular Biology Penn St. College of Medicine Milton Hershey Medical Center Hershey PA, 17033

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Structure is not fitted and map has multiple duplicates in Coot
by Ahmad Khalifa 20 Mar '19

20 Mar '19

I have a cryo-EM map that I want to segment. I have structures surrounding the density of interest from all sides. I did a molmap in chimera and subtracted everything the molmap. I then cleaned the excess density around my protein using volume eraser. Now the map that I get opens fine in Chimera. But I tried to open a model and my density in Coot, the screenshot is what I got: 1) the structure is not fitted 2) the density appears to have multiple copies of my proteins, it's supposed to be only one unit there What is wrong here exactly, I'm suspecting it's the volume eraser! Is there a better way to segment the density given how I have atomic models for all the surrounding densities, but not the density of interest? Regards.

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color key in chimera X
by Pranav Shah 18 Mar '19

18 Mar '19

Hi, I have a isosurface rendering that I have colored by radius as well as local resolution. I want to now place a colour key in the image to indicate the relevance of the colors. Is there a way to achieve this in ChimeraX? If not, is there a way to easily port the commands to Chimera? Cheers, Pranav -- Pranav Shah Postdoctoral Research Fellow. Hogle Lab Department of Biological Chemistry and Molecular Pharmacology, Building C2 - First Floor 240 Longwood Avenue Boston, MA 02115 (617) 432-4360 (fax) (617) 432-3839 (lab)

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could not find binaries for addh and addcharge programs
by Zafer AYDIN 18 Mar '19

18 Mar '19

Hi, I installed chimera software to my Ubuntu workstation. I want to add hydrogen bonds and charges to ligand molecules. I could not find the addh and addcharge executables under the chimera directory. I would readlly appreciate if you can provide me basic guidelines for how to add hydrogen bonds and charges to ligand molecules using chimera from command-line (not from GUI). Many thanks, Zafer Aydin AGÜ Computer Engineering Department Kayseri, Turkey

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drawing axes of rotational symmetry
by Arvind SHARMA 15 Mar '19

15 Mar '19

Hi, I would like to calculate the rotation axis between two domains of a protein (domains are highly similar in fold and sequence). Is there a way to calculate transformation matrix between two objects in chimera (two domains here) to obtain the direction of rotation axis and rotation angle values? Also is it possible to generate a translation vector along rotation axis in graphic screen? Would be great if there is a script available for that and someone can share. Have a lovely weekend, arvind.

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32-bit release
by Marwa Elnaiem 14 Mar '19

14 Mar '19

Dear UCSF Chimera team, I highly need to use the software Chimera, but unfortunately, my operating system is 32-bit which is no longer supported. I would like to ask if any old release of chimera that I could download on my 32-bit operating system. Could you please help? Regards, Marwa

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Re: [Chimera-users] CASTp to Chimera
by Elaine Meng 13 Mar '19

13 Mar '19

> On Mar 13, 2019, at 9:57 AM, Chakraborty, Joydeep <jc323(a)njit.edu> wrote: > > Hi Elaine > I am trying to show the active site space fill model as depicted by the CASTp. However I am having difficulty to generate the same file using chimera. I was wondering if there is any special way we could depict a ribbon diagram of the protein with a space filled active site pocket. > Thanks, > Joydeep. Hi Joydeep, A picture would have been helpful, but I’m guessing you mean how it looks at the CASTp website. I looked at the website and see it shows some transparent spheres filling the pocket. However, these spheres are not described in any of the files Chimera gets from CASTp (which are the same as the files you get if you choose “Download” on their website), so we don’t have any way of showing them, sorry. I didn’t see any way to get the spheres from the website… I agree it would be useful! Just to help explain it to everybody else, I attached an image showing left to right: the Chimera CASTp dialog, Chimera window showing PDB structure 3TRG ribbon with molecular surface of biggest pocket from CASTp, and image of the same structure and pocket at the CASTp website <http://sts.bioe.uic.edu/castp/index.html?3trg>, including the transparent spheres: For future reference, it is better to send Chimera questions to chimera-users(a)cgl.ucsf.edu (CC’d on this message) to ensure you get an answer. Best, Elaine ----- Elaine C. Meng, Ph.D. UCSF Chimera(X) team Department of Pharmaceutical Chemistry University of California, San Francisco

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