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@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@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@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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