[Chimera-users] using modeller through chimera

Elaine Meng meng at cgl.ucsf.edu
Wed Oct 3 06:28:50 PDT 2012

Hi Taufiq,
As you mentioned, the models will appear automatically in the Chimera main window, and there will be an additional dialog, Modeller results (a list of the homology models and other information).  For example, the two bottom figures in the Comparative Modeling tutorial show this dialog:

I don't understand what you are clicking... it should not be necessary to click anything. 

More details about the Modeller results dialog:


On Oct 3, 2012, at 6:16 AM, Taufiq Rahman wrote:

> Dear Elaine, Many thanks for the reply. It was very helpful and I can now do it. The only fresh problem is: whenever Modeller seems to complete the job (I assume), I can't click on 'modeller results' - its there but clicking on it doesn't open up anything, whilst in the 3d space, I can see the modelled structure as well as the templates.
> Any advice?
> Regards,
> taufiq
> On Oct 3 2012, Elaine Meng wrote:
>> Hi Taufiq, It is probably disabled because you are viewing a single sequence rather than an alignment of 2 or more sequences. In Chimera, there are several ways to get the needed inputs for Modeller, which include the sequence alignment and a structure to use as the template. Some ways are outlined here:
>> <http://www.cgl.ucsf.edu/chimera/docs/ContributedSoftware/multalignviewer/multalignviewer.html#approaches>
>> Once you have the inputs, you can run Modeller either via web service or via your local installation. If you haven't already, you would also need to obtain a Modeller license key before running (even if you are going to use the web service).
>> I would also recommend that you get a newer version of Chimera (at least 1.6.2). The Modeller interface is improved in that version compared to older versions. The sequence window menu will then include both "Structure... Modeller (homology)" and "... Modeller (loops/refinement)" instead of a single "...Modeller Tools" entry.
>> This documentation is for 1.6.2: <http://www.cgl.ucsf.edu/chimera/docs/ContributedSoftware/multalignviewer/modeller.html>
>> I hope this helps,
>> Elaine
>> -----
>> Elaine C. Meng, Ph.D.                       UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab
>> Department of Pharmaceutical Chemistry
>> University of California, San Francisco
>> On Oct 2, 2012, at 7:49 AM, Taufiq Rahman wrote:
>>> Hello, I want to use modeller through Chimera's interface. I have seen the video and read about the way to do it. My problem is my 'modeller tool' option in the structure menu remains disabled. I have installed modeller locally but don't know how to integrate it into chimera.
>>> any suggestion?
>>> taufiq
> -- 
> Taufiq Rahman
> MSc(Manchester), PhD (Cantab)
> Royal Society University Research Fellow
> University of Cambridge
> Cambridge
> CB2 1PD
> UK

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