- Chimera-users - RBVI Mailing Lists

http download links are insecure
by Yuri 13 Jul '17

13 Jul '17

Download site and links here are http: http://www.rbvi.ucsf.edu/chimera/download.html http is susceptible to MITM attacks. Checking md5 signatures help, but I bet majority of people just doesn't do it. You need to make the site and download URLs https to make them more secure. Yuri

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rainbow with atom-spec of a portion of a chain
by Cheng, Micah 13 Jul '17

13 Jul '17

I was trying to rainbow a subset of a chain using the rainbow command and the atom-spec: rainbow #0:34-102.a However when run, the entire chain A was colored with rainbow instead just residues 34-102 running the color command with the same atom-spec: color #FFFFFF #0:34-102.a produced the predicted result of only residues 34-102 being colored white Is there a command to rainbow only part of the chain or are there any workarounds to being able to rainbow only a selected portion of a chain? Thanks in advance Micah CONFIDENTIALITY NOTICE: This email communication may contain private, confidential, or legally privileged information intended for the sole use of the designated and/or duly authorized recipient(s). If you are not the intended recipient or have received this email in error, please notify the sender immediately by email and permanently delete all copies of this email including all attachments without reading them. If you are the intended recipient, secure the contents in a manner that conforms to all applicable state and/or federal requirements related to privacy and confidentiality of such information.

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Nvidia Quadro P5000
by Josep TRIVIÑO VALLS 13 Jul '17

13 Jul '17

Hello, I have a brand new computer with a Nvidia P5000. I have not seen anything related with this graphic card but I am not obtaining the expected results when using Chimera. Chimera detects the graphic card and the drivers, and when running the benchmarks it seems like it is working better than, for example, the GeForce GTX TITAN X. I have also been testing with the side view of a large protein, which I can do with a Quadro M4000 on another computer, but with the Quadro P5000 it is not working properly. It works slowly. I am using OpenSuse Leap 42.2 with the newest Nvidia driver 375.66. I have also installed the Cuda libraries. Any hints about what I should do in order to get it working properly? Thanks.

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Command-line equivalents of interative action
by Healey, Joe 13 Jul '17

13 Jul '17

Hi Chimera Team, I've been following this great tutorial: https://www.cgl.ucsf.edu/chimera/data/tutorials/systems/outline.html#case1 To render a structure by conservation. I'd like to run this non-interactively for a number of proteins though. Could you tell me what the python or 'chimera code' equivalents would be? For instance, I would provide a structure (or structures in a session) and MSA in fasta format already, so without interactive menus I'd like to: 1. Open the structure(s) and MSA 2. get the conservation from MultAlign (the actual conservation metric doesn't particularly matter to me at the moment) 3. Render any open models by conservation, say using the cyan-maroon colour scale 4. Additionall depict as smooth worms with defined min and max radii If this is possible! Thanks! Joe Joe Healey M.Sc. B.Sc. (Hons) MSRB PhD Student MOAC CDT, Senate House University of Warwick Coventry CV47AL Mob: +44 (0) 7536 042620 | Email: J.R.J.Healey(a)warwick.ac.uk Jointly working in: Waterfield Lab<http://www2.warwick.ac.uk/fac/med/research/tsm/microinfect/staff/waterfield…> (WMS Microbiology and Infection Unit) and the Gibson Lab<http://www2.warwick.ac.uk/fac/sci/chemistry/research/gibson/gibsongroup/> (Warwick Chemistry) Twitter: @JRJHealey<https://twitter.com/JRJHealey> | Website: MOAC Page<http://www2.warwick.ac.uk/fac/sci/moac/people/students/2013/joseph_healey> | ORCID: orcid.org/0000-0002-9569-6738

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Does anyone know how to specify a "MarkerSet Link" to be used for findClash
by Jun Ha Song 11 Jul '17

11 Jul '17

Hello, I want to search whether my models are close enough to be exactly apart from each other by the distance I specify. findClash appear to be tailor-made for the exact task I was hoping to do, but unfortunately, it appear to only search nearby atoms, not the links, even if I select the entire model which has both markers and links incorporated as its component. The only way that I can make my entire MarkerSet to be competent for findClash was to use Tom's *dividelinks.py* script ( http://plato.cgl.ucsf.edu/trac/chimera/attachment/wiki/Scripts/dividelinks.…) to add *n* number of marker s along the link of two marker that I selected. Q1. Can I ever specify MarkerSet Link by *atom-spec *commands, to use findClash on the inter-model links as well, not only for the markers? Q2. Is there any other function than findClash that allow me to find any inter-model (never atoms within the same model) atom or link's distance that I specify exist? Best, Jun Ha Song.

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change model ID
by Fabian Glaser 11 Jul '17

11 Jul '17

Hi, Is it possible to change an opened model number? I tried the combine command but could not do it. Thanks a lot, Best, Fabian Fabian Glaser PhD Head of the Structural Bioinformatics section Bioinformatics Knowledge Unit - BKU The Lorry I. Lokey Interdisciplinary Center for Life Sciences and Engineering Technion - Israel Institute of Technology, Haifa, Israel Web http://bku.technion.ac.il/ Tel +972 (0) 4 8293701

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Ligand Center of Mass
by ARMIN HODAEI 11 Jul '17

11 Jul '17

Dear Chimera users, I have been wondering, is there a way to find a ligand Mass weighted center of mass in Chimera? For example in the 1G6N(rcsb ID) protein I want to know the cAMP ligand's COM. Best, -- Armin Hodaei Department of Physics, Faculty of Arts and Sciences Koc University, Istanbul

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Is it possible to translate single selected marker when many other models are still active, using constrained move function?
by Jun Ha Song 10 Jul '17

10 Jul '17

Hello all, [image: Inline image 2] I am looking at my map, which I have zoned one flat plane of it, not from the top, but at inclined angle of 10˚ from above. My goal is to move markers that are at the far side of this plane from left to right (Red Arrow), without the marker going out of the plane. Because I am looking at my plane not from the top, any movement of my mouse in y-axis of my view, will cause my marker to go outside of the plane. The only way to move the marker, using Movement Mouse mode, is to solely translate my mouse in x-axis using xy-translation (Middle Mouse Button). Because it is impossible to solely move my mouse in x-axis only, I tried to use Constrained Movement tool to limit my translation in one axis only, but I soon discovered that constrained movement is applied to all active models in the session. Is it ever possible to use constrained movement only for the marker that I have selected, which will move due to Movement Mouse mode being set at "Move Selection"? I was actually fortunate enough to find a little utility called "DragLock", which literally locks the axis of drag translation in either x-axis or y-axis, "DragLock" is only functional for Windows, not for Mac. Any method to limit my mouse translation in x-axis only would suffice, and I know constrained movement already provide exactly that; if only I can move one marker of my selection, not entire active models. Any advice would be helpful! Sincerely, Jun Ha Song.

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Is it possible to configure Chimera Tools Window Start-up Position in Dual Monitor?
by Jun Song 10 Jul '17

10 Jul '17

Hello everyone, There are quite a few tools that I always use when I use Chimera, and I really cannot do the work I need to do without having all the tools open in their own separate windows. I find it very convenient to configure those tools to open all together when I start Chimera every single time. I also connect a monitor to my laptop to visualize my map on it, and place all my tool windows on the other screen. I am wondering if there is an option to specify all the tool windows' start-up position and size over dual monitor screens. When I click on the Chimera icon to do some work, all the windows, both main Chimera graphics window and all the tool windows, only open on the main display. I have been reading all the instructions regarding window position for hours, and it appears that the only parameter that I can play with is - Which screen Chimera will open (using *--screen screen_number*) - Graphics window size (using *windowsize [width height]*) - Graphics window position (using *windoworigin [x y]*) and nothing else. Is it ever possible to... Q1. Specify exact position where all of the tool windows will open? and also, can I... Q2. Allow Chimera windows to open over both screens, not only one screen? I know all it takes for me to re-arrange is about 10 seconds of drag, but if there is a way to configure start-up position of all the windows, that would make using Chimera even more enjoyable. Best, Jun Ha Song.

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Problem using Chimera with NLOpredict
by Roger Hawksworth 10 Jul '17

10 Jul '17

Hi, Please see attached Word .docx file which is also contained within the attached .zip file. Today, 08th July 2017, is the first time that I have used Chimera. Perhaps the .cfg file I tried to use is somehow "corrupt"? Best Wishes, Roger H

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