[Chimera-users] command to show Structure Diagrams?

Noel Pace noelpace89 at gmail.com
Thu Feb 14 14:22:33 PST 2013


THANKSS!!!! :) I am not proficient with programming language itself but i'm
trying my best to.. thanks for all the help deeply appreciated.


On 14 February 2013 23:20, Eric Pettersen <pett at cgl.ucsf.edu> wrote:

> The Python would be:
>
> from chimera import dialogs
> from StructureDiagram.gui import StructureDiagramDialog
> dlg = dialogs.display(StructureDiagramDialog.name)
> dlg.updateImageFromSmiles("C1[C at H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2")
>
> Put the above in a file with a ".py" suffix and just follow the
> instructions Elaine gave.
>
> --Eric
>
>                         Eric Pettersen
>                         UCSF Computer Graphics Lab
>                         http://www.cgl.ucsf.edu
>
> On Feb 13, 2013, at 10:14 AM, Elaine Meng wrote:
>
> Hi Noel,
> Sorry, there is no command to show structure diagrams.  If the demo must
> do this, the only possibility (that I know of) is to do it in a python
> script.  In the demo, you can use the "open" command to open and execute
> the *.py file (the script, which would be one of your demo data files).
>
> For example, in the "Hormone-Receptor Complex Demo" that comes with
> Chimera, there is an "undo" command in panel 6 that opens a python script.
>  The script simply closes the sequence alignment window.
>
> I don't know python, so someone else would need to help with the script
> itself.
>
> Best,
> 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 Feb 12, 2013, at 5:02 PM, Noel Pace wrote:
>
> Dear Elaine,
>
>
> Thank you for your constant help...I am getting more proficient with the
> program language however I have encountered a difficulty and cannot resolve
> it using the manual.
>
>
> I require the command to run the UTILITY: Structure diagram, then make it
> load SMILES code: C1[C at H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2
>
>
> How can I make this possible please?
>
>
> Thanks again,
>
> Noel
>
>
>
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>
>
>
>
>
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