<div dir="ltr">THANKSS!!!! :) I am not proficient with programming language itself but i'm trying my best to.. thanks for all the help deeply appreciated.</div><div class="gmail_extra"><br><br><div class="gmail_quote">
On 14 February 2013 23:20, Eric Pettersen <span dir="ltr"><<a href="mailto:pett@cgl.ucsf.edu" target="_blank">pett@cgl.ucsf.edu</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div style="word-wrap:break-word">The Python would be:<div><br></div><div>from chimera import dialogs</div><div>from StructureDiagram.gui import StructureDiagramDialog</div><div>dlg = dialogs.display(<a href="http://StructureDiagramDialog.name" target="_blank">StructureDiagramDialog.name</a>)</div>
<div>dlg.updateImageFromSmiles("C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2")</div><div><br></div><div>Put the above in a file with a ".py" suffix and just follow the instructions Elaine gave.</div><div>
<br></div><div>--Eric</div><div><br></div><div><div><span style="text-indent:0px;letter-spacing:normal;font-variant:normal;font-style:normal;font-weight:normal;line-height:normal;border-collapse:separate;text-transform:none;font-size:16px;white-space:normal;font-family:Helvetica;word-spacing:0px"><div style="margin-top:0px;margin-right:0px;margin-bottom:0px;margin-left:0px">
<font face="Helvetica" size="5" style="font:normal normal normal 16px/normal Helvetica"> Eric Pettersen</font></div><div style="margin-top:0px;margin-right:0px;margin-bottom:0px;margin-left:0px"><font face="Helvetica" size="5" style="font:normal normal normal 16px/normal Helvetica"> UCSF Computer Graphics Lab</font></div>
<div style="margin-top:0px;margin-right:0px;margin-bottom:0px;margin-left:0px"><font face="Helvetica" size="5" style="font:normal normal normal 16px/normal Helvetica"> <a href="http://www.cgl.ucsf.edu" target="_blank">http://www.cgl.ucsf.edu</a></font></div>
<br></span></div><div><div><div class="h5"><div>On Feb 13, 2013, at 10:14 AM, Elaine Meng wrote:</div><br></div></div><blockquote type="cite"><div><div><div class="h5">Hi Noel,<br>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).<br>
<br>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.<br>
<br>I don't know python, so someone else would need to help with the script itself.<br><br>Best,<br>Elaine<br>-----<br>Elaine C. Meng, Ph.D. <br>UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab<br>
Department of Pharmaceutical Chemistry<br>University of California, San Francisco<br><br>On Feb 12, 2013, at 5:02 PM, Noel Pace wrote:<br><br><blockquote type="cite">Dear Elaine, <br></blockquote><blockquote type="cite"><br>
</blockquote><blockquote type="cite">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.<br></blockquote>
<blockquote type="cite"><br></blockquote><blockquote type="cite">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<br></blockquote><blockquote type="cite">
<br></blockquote><blockquote type="cite">How can I make this possible please?<br></blockquote><blockquote type="cite"><br></blockquote><blockquote type="cite">Thanks again,<br></blockquote><blockquote type="cite">Noel<br>
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