[Chimera-users] placing a helium atom at a given position.
Jean-Didier Maréchal
jeandidier.marechal at uab.es
Fri Feb 22 07:59:23 PST 2008
Hi again,
that follows an e-mail exchange with Eric a while ago.
I am trying to place a given atom (for the moment, helium is fine) to
given x,y,z coordinates. You told me that the new BuildStructure module
could do that, unfortunately after having imported the module
import BuildStructure
when I do
BuildStructure.placeHelium(res,model=0,position=13.2909,75.4474,25.4248)
I have
SyntaxError: non-keyword arg after keyword arg
I tried different argumentations of this but I can't have it working, if
you can tell me how to do this, that would be perfect.
All the best,
JD
some time ago Eric
On Thu, 2008-02-21 at 12:00 -0800, chimera-users-request at cgl.ucsf.edu
wrote:
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> Today's Topics:
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> 1. Re: distance (Elaine Meng)
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> ----------------------------------------------------------------------
>
> Message: 1
> Date: Thu, 21 Feb 2008 09:00:37 -0800
> From: Elaine Meng <meng at cgl.ucsf.edu>
> Subject: Re: [Chimera-users] distance
> To: "??" <lynnwuchao at gmail.com>
> Cc: chimera-users at cgl.ucsf.edu
> Message-ID: <0E85C396-8C7D-4182-A029-5C0155245C3A at cgl.ucsf.edu>
> Content-Type: text/plain; charset=UTF-8; delsp=yes; format=flowed
>
> Hi!
>
> The distances are listed in a separate dialog - choose "Tools...
> Structure Analysis... Distances" from the menu to open that dialog.
> You can adjust the number of decimal places in the measurement, and
> there is a "Save" button if you want to save distances or other
> measurements to a text file.
>
> I hope this helps,
> Elaine
> -----
> Elaine C. Meng, Ph.D. meng at cgl.ucsf.edu
> UCSF Computer Graphics Lab and Babbitt Lab
> Department of Pharmaceutical Chemistry
> University of California, San Francisco
> http://www.cgl.ucsf.edu/home/meng/index.html
>
>
>
>
> On Feb 20, 2008, at 11:38 PM, ?? wrote:
>
> > Hi, folks,
> > I select two atoms and measured their distance using the command
> > distance and can see the exact distance value in the graphic
> > interface, but when I go the log file i can not find it.
> > Can anybody give me a hand and tell me why can I find it? Thanks..
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