- Chimera-users - RBVI Mailing Lists

(no subject)
by K Jan 24 Feb '21

24 Feb '21

Hello, I`ve just finished a simulation on DNA with K+ ions and I would like to get images of the average ion location at different points in the simulation. I was wondering how I could find the average location of K+ ions ( because right now they`re scattered around the DNA) at different points of the simulation.? Thanks

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Chimera Visualization Tool
by Ela Ka 24 Feb '21

24 Feb '21

Dear Madam/Sir, We are a group of researchers who try to prepare educational contents in different aspects of protein molecular modeling for the students. Access to these educational content is not free. We need to prepare some pictures of proteins, ligand-receptor interaction, etc. for the slides. Can we use the Chimera software (free version) to prepare some pictures for the slides? Though, we won't use the tool, itself, for those educational sessions. Thank you for your consideration Best Regards Elaheh Kashani-Amin PhD, Bioscience

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No mmcif module in ChimeraX 1.0?
by Yangqi Gu 23 Feb '21

23 Feb '21

Dear Chimera Developer, I am trying to use an external python script to run some calculations. I am using ChimeraX 1.0 and the script requires the import of mmcif module but apparently it is not installed in ChimeraX 1.0? How should I install this module? I also downloaded a newer version 1.1, but it is a precompiled version. Do I need to remove ChimeraX 1.0? Because the older version was installed in /usr/bin with an executable file, but for the newer version, I assume I need to add the path for the executables? I also need to run some ISODLE refinement with my gpu, will ChimeraX configure gpu automatically? Best, Yangqi -- Yangqi Gu Graduate Student Malvankar Lab Yale University, West Campus

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volume position/placement question
by Chen Mu 23 Feb '21

23 Feb '21

Hi Dear List, I am new to Chimera and I have a question using the volume viewer: I have three volumes (reconstructions from different tomographic reconstruction algorithms) to compare. They are in the same size and structure as saved in the .mrc files. I will rotate one volume and adjust the volume viewer and view it. And I then will create an animation video by adding 'roll' in timeline. But the question is, how can I make sure that when I open the other volumes, all of them are in the same starting position/placement, in order to compare and each frame in the animation video to make it possible to compare, because they should start at exactly the same volume position/placement. How can I set up this placement of the volumes to be the same? Thanks very much in advance! Best, Chen

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On pdb structure match or align
by Smith Lee 23 Feb '21

23 Feb '21

Dear All, With chimera I open A.pdb abd B.pdb. A.pdb contains domain a and doain b, B.pdb contains domain b and domain c, which is to say, the 2 structures share a common domain b. Will you please tell me the chimera specific command to align or match the 2 structures based fully on the common domain b in each structure, without consideration of the domain a and domain c for calculation of the alignment? Best wishes, Smith

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on chimera mask
by Smith Lee 22 Feb '21

22 Feb '21

Dear All, When I use command "mask ones #0" to get the mask for #0 image and use the mask.mrc for further processing by other program, it says the mask.mrc got was not in the "cube volume" format. Will you please explain what is the "cube volume" format mrc, and is any way to convert the above mentioned 'non-cube volume" format mask.mrc to "cube volume" format mask.mrc? Best wishes, Smith

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Green bars in side view on new install
by Rochelin Dalangin 21 Feb '21

21 Feb '21

Hello, I installed Chimera 1.15 on a Windows 10 Pro laptop running i5-10300H and Intel UHD 630. When I try to open side view to clip the protein, I end up with green bars on the side view window (as shown). I've tried reinstalling to see if that fixes the issue, but it didn't work. Would you have any idea what's causing this? Thanks, Rochelin [image: image.png] -- ------------- Rochelin Dalangin Department of Chemistry 4-135 Centennial Centre for Interdisciplinary Science University of Alberta Edmonton, AB T6G 2G2

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saving several pdb files in one
by Dieter Blaas 18 Feb '21

18 Feb '21

Dear Elaine and all, I have a large number of aligned pdb files and want to mask a volume including density near all these atoms. Is there an easy way of doing so? Usually I would load map and pdb, position the pdb model accordingly, activate all atoms and use 'zone' to mask everything further away from all atoms than a given distance. But this seams to be difficult with more than 100 coordinate files, each containing about 1000 coorinates! I also tried to combine all coordinates in a single file omitting everything else but chimera tries desperately to find secondary structure elements, which is difficult with this mess.... Is there an easy way of doing so? Thanks, best, Dieter ------------------------------------------------------------------------ Dieter Blaas, Max Perutz Laboratories Medical University of Vienna, Inst. Med. Biochem., Vienna Biocenter (VBC), Dr. Bohr Gasse 9/3, A-1030 Vienna, Austria, Tel: 0043 1 4277 61630, Mobile: 0043 699 1942 1659 e-mail:dieter.blaas@meduniwien.ac.at ------------------------------------------------------------------------

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Installing chimerax linux
by Francesco Pietra 18 Feb '21

18 Feb '21

Hello I would like to change to chimerax, installing it on Debian (10 Buster) Regrettably, it has become practice to refer to ubuntu when .deb packages are concerned. I would appreciate being informed which u. version, if any, is suitable for Debian 10 thanks francesco pietra

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Hide (pseudo-)bond between neighboring residues
by Konstantin Richter 18 Feb '21

18 Feb '21

Dear Chimera Community, I currently experience some trouble hiding certain bonds that Chimera automatically displays. But first things first: I want to design a figure of the active site of two very similar protein structures (models #0 and #1; let's assume they are mutants of the same molecule differing in only a few amino acid residues). I therefore display the ribbon as well as certain residues of model #0. Additionally, I align #1 on #0 and display the same residues in #1, but without the ribbon. So, the side chains of #1 should end in the ribbon of #0 (which is basically identical to ribbon #1). Since Chimera automatically displays all atoms of the residues when the respective ribbon is hidden, I also hide C,O,N of #1 residues. Now this looks fine expect for one thing. Chimera creates long (pseudo?)bonds between the CA atoms of residues that follow one another in sequence, e.g. res 64 and 65. This very long 'bond' messes up my figure, and I haven't yet figured out how to delete or hide it. I already tried the ~bond #1:64-65@CA command, but this one hides ALL bonds in residue 64 (but not the one between 64-Ca and 65-Ca) and other variations of the atom specifier. Is something wrong with my atom specification, or is this command not suitable for what I want to do? I also tried the bonddisplay command without succes, since it deletes all bonds in one residue. In the end, I want the residues of #1 to contain all atoms except for C,N,O including bonds between all atoms, but not the elongated connection between Ca atoms. best regards Konstantin Richter -- P. Konstantin Richter - M.Sc. Biochemistry Department of Structure Analysis of Biopolymers - Institute of Bioanalytical Chemistry Center for Biotechnology and Biomedicine (BBZ) - Leipzig University Deutscher Platz 5 D-04103 Leipzig Tel.: +49 341 9731316

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