June 2021 - Chimera-users - RBVI Mailing Lists

(no subject)
by Thirumurugan Prakasam 30 Oct '21

30 Oct '21

Hi, I am trying to make metal coordination bond as a dotted line and also I need to make electron clouds around the atoms as in the picture below (Please provide me short guidelines on how to make nice cartoon). Please help me sort this two issues. Looking forward to hearing from you, Many thanks, Thiru [image: image.png] -- Thirumurugan Prakasam, Research Scientist, New York University Abu Dhabi, Experimental Research Building Building C1, Saadiyat Island Abu Dhabi, UAE Phone no: +971-561976358

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Error in using chimera with structureviz2 and cytoscape
by SRUTHI NAMBIAR 30 Jun '21

30 Jun '21

Dear all, I have been using chimera for the past 1 year and recently wanted to club it along with the cytoscape software. But whenever I try to launch chimera through the structureviz app, I get the following message: Error message: Cannot run program "/home/students/chimera/": error=13, Permission denied I have changed the settings of structureviz to give the path of chimera which is /home/students/chimera. Still this error is occurring. Could someone help regarding the same? Thank you. Regards, Sruthi

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how to calculate RMSD
by Elaine Meng 30 Jun '21

30 Jun '21

> On Jun 30, 2021, at 7:19 AM, lufeiyu(a)jlu.edu.cn wrote: > > Dear Sir/Madam: > > I have a question about the analysing of the docking. I docked a peptide to the receptor using GALAXYpepDOCK. The results uncontained the scores of RMSD. Some literatures reorted the UCSF could calculate the RMSD. But I didn't get the way after reading the tutorials. Please help me to figure out how to obtain the RMSD of a docking structure .Thanks vwry much. Best wishes for you. > > sincerely yours > Feiyu Lu Dear Feiyu Lu, The chimera-users(a)cgl.ucsf.edu address is recommended for asking questions about how to use Chimera. I CC'd it here, so you do not need to send your question again. (Or if you are using ChimeraX, you should use chimerax-users(a)cgl.ucsf.edu in the future for asking questions.) An RMSD measures the difference between two different locations of a set of atoms. So in Chimera you would need to open not only the docking results, but also the position of that peptide that you want to use as reference to calculate their RMSD. Then, you can use the "rmsd" command to compare them. I cannot give an exact command since I don't know the model numbers you will have, but an example if you had the comparison peptide open as model #3 and the docking result models are #1.1, #1.2, #1.3 ... then your commands could be: rmsd #3 #1.1 rmsd #3 #1.2 [...] See rmsd command help: <https://www.rbvi.ucsf.edu/chimera/docs/UsersGuide/midas/rmsd.html> The results would be shown in the Reply Log (open from Favorites menu). Also if you don't know what model numbers you have, look in the Model Panel (also can be opened from the Favorites menu). Model Panel help: <https://www.rbvi.ucsf.edu/chimera/docs/UsersGuide/modelpanel.html> I hope this helps, Elaine ----- Elaine C. Meng, Ph.D. UCSF Chimera(X) team Department of Pharmaceutical Chemistry University of California, San Francisco

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Join models function on Chimera
by Azad, Roksana 29 Jun '21

29 Jun '21

Hi There, I hope you are doing very well. My name is Roksana Azad, I am a Ph.D. Student at the CUNY ASRC. I have been working on building a full length model of my protein into a cryoEM map, I have models for individual domain but not for the full lenght structure. I am trying to join the domain models using chimera "join models" function, but unfortunately it's not working for me. I tried everything I could find online about the issue, I used the addh command and kssdssp commands and also tried joining them using other bond instead of C-N, however my button for "apply" always grey and I can't click on it (please see the screenshot attached). I also tried this command "#0:127.A@C #1:1.A@N" according to my model # and atom, but its not selecting anything for me. I tried "combine" it also didn't work.? Please let me know if there is something else I am missing or what else I can do to create this bond or connection between two models. Thank you so much for your time and help in advance - very much appreciated. Sincerely, Roksana ________________________________ Roksana Azad<https://asrc.gc.cuny.edu/people/roksana-azad/> Ph.D. Candidate in Biochemistry & Biophysics Advisor: Kevin H. Gardner<https://kglab.ws.gc.cuny.edu/> Structural Biology Initiative; CUNY Advanced Science Research Center 85 St Nicholas Terrace * New York * NY * 10031 Phone: 212-413-3233 Email: razad(a)gc.cuny.edu

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Stuck in adding residue in the C-terminal of a segment
by Prathit Chatterjee 29 Jun '21

29 Jun '21

Dear Experts, This is regarding adding an ALA residue in the C-terminal of a specific protein domain, with CHIMERA. I have a protein-complex with multiple domains and chains. I want to add an ALA residue (101-th position) in the chain D, after the 100th residue which is PRO. I followed the tutorial and have given the following command in command line: addaa ala,101 :100.d The following outcome was: Couldn’t find ‘O’ backbone atom of PRO 100.D. Request you to kindly let me know what the possible solution could be, so that I add an ALA residue in the C-terminal of Chain D. Thank you in advance, Regards, Prathit Chatterjee

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how to know the net charge of my system
by Sara Luz Gomez Maya 29 Jun '21

29 Jun '21

Dear all, I'd like to know if there is a way to know the net charge of a system when opening the pdb file with Chimera. If so, is it possible to do it by means of the command line? Thanks in advance, Sara

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same chain id while saving large coordinate files
by manikandank 28 Jun '21

28 Jun '21

Hi Chimera-users, Chimera 1.15 (build 42258) puts same chain id for all protein chains present in the pdb during 'save pdb/write pdb' . I am using it in linux Ubuntu. Please help. thank you with kind regards Mani.

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Modeller..Waiting for the Opal server
by Hernando J Sosa 26 Jun '21

26 Jun '21

Dear Chimera, Today when trying to use Modeller through the Chimera interface (via web service) the program either stays forever in Waiting for the Opal server or produces a whole bunch of errors. Trying to run Modeller through the local installation also results in errors. Not sure if the problem is with Chimera or Modeller but one day ago Modeller&Chimera were working fine with the same input files that now are causing the errors (???). Thanks Best Hernando

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multi align viewer
by Jacqueline Vitali 25 Jun '21

25 Jun '21

Hi Elaine, When you do match-->align in chimera, you create the MAV. It has a coral region for the fully populated columns. If you change the order of the sequences, it automatically disappears. Is there a way to bring this region back? Thank you. Jackie Vitali Cleveland State University

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multialign viewer
by Jacqueline Vitali 24 Jun '21

24 Jun '21

Hi Elaine, When you do match-->align in chimera, you create the MAV. It has a coral region for the fully populated columns. If you change the order of the sequences, it automatically disappears. Is there a way to bring this region back? Thank you. Jackie Vitali Cleveland State University

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Chimera-users June 2021