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Thanks a lot Eric. Script works pretty nicely. It saves a lot of time.</div>
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Best wishes,
<div>Arun</div>
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<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" style="font-size:11pt" color="#000000"><b>From:</b> Eric Pettersen <pett@cgl.ucsf.edu><br>
<b>Sent:</b> Thursday, November 4, 2021 12:11 AM<br>
<b>To:</b> Gupta, Arun <Arun.Gupta@warwick.ac.uk><br>
<b>Cc:</b> ChimeraX Users Help <chimerax-users@cgl.ucsf.edu><br>
<b>Subject:</b> Re: [chimerax-users] Labelling w.r.t Secondary structure elements</font>
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<div class="" style="word-wrap:break-word; line-break:after-white-space">Hi Arun,
<div class=""><span class="x_x_Apple-tab-span" style="white-space:pre"></span>Elaine is correct that there is no easy command equivalent for this. I wrote a short Python script to label the middle label of each secondary structure element with á/â<i class="">N</i><span class="" style="font-style:normal"> for
helices/strands respectively. Run the script simply by opening it with the open command. You can adjust the initial height of the labels by editing the first line of the script, or afterward with the "label height
</span><i class="">N</i><span class="" style="font-style:normal">" command. Keep in mind that secondary structure element numbering resets with each chain, so if you have a multi-chain structure then this script may not produce what you want.</span></div>
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<div class="">--Eric</div>
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<div class=""><span class="x_x_Apple-tab-span" style="white-space:pre"></span>Eric Pettersen</div>
<div class=""><span class="x_x_Apple-tab-span" style="white-space:pre"></span>UCSF Computer Graphics Lab</div>
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<blockquote type="cite" class="">
<div class="">On Nov 3, 2021, at 1:55 PM, Elaine Meng via ChimeraX-users <<a href="mailto:chimerax-users@cgl.ucsf.edu" class="">chimerax-users@cgl.ucsf.edu</a>> wrote:</div>
<br class="x_x_Apple-interchange-newline">
<div class="">
<div class="">Hi Arun,<br class="">
Not completely sure this is what you're asking, but I'm guessing something like how "label" shows residue labels, but instead showing a label like alpha1 or beta1 for each secondary structure element (SSE)? There is nothing like that, sorry. <br class="">
<br class="">
Personally I would use 2D Labels before Powerpoint, but you undoubtedly have more Powerpoint skills than I do. You can enter the text, colors, arrows, etc. in 2dlabels commands, and then drag them to the desired locations with the "move label" mouse mode.<br class="">
<<a href="https://rbvi.ucsf.edu/chimerax/docs/user/commands/2dlabels.html" class="">https://rbvi.ucsf.edu/chimerax/docs/user/commands/2dlabels.html</a>><br class="">
<br class="">
The closest "automatic" thing I can think of is the following, but it doesn't look good enough for a figure, partly because every residue has a label. I can't think of a simple way to only add one label per SSE. Example:<br class="">
<br class="">
open 2gbp<br class="">
label (helix | strand) attribute ss_id height 1.2<br class="">
<br class="">
... that just gives an integer 1 for residues in first strand and first helix, 2 for second strand and second helix, and it doesn't say whether it's a strand or helix (0 for all coil). You could also label by secondary structure type, but that attribute is
also an integer, not the words or greek letters alpha and beta (ss_type 1 for helix, 2 for strand).<br class="">
<br class="">
label delete<br class="">
label (helix | strand) text "{0.ss_type}:{0.ss_id}" height 1<br class="">
<br class="">
see "label" options<br class="">
<<a href="https://rbvi.ucsf.edu/chimerax/docs/user/commands/label.html#options" class="">https://rbvi.ucsf.edu/chimerax/docs/user/commands/label.html#options</a>><br class="">
and attribute names<br class="">
<<a href="https://rbvi.ucsf.edu/chimerax/docs/user/attributes.html" class="">https://rbvi.ucsf.edu/chimerax/docs/user/attributes.html</a>><br class="">
<br class="">
Again, I'd use 2dlabels, but to assist with identifying which SSE is which, I might use the first label command example above (and delete those labels when I was done), or just rainbow the chain and go progressively from blue to red.<br class="">
<br class="">
I hope this helps,<br class="">
Elaine<br class="">
-----<br class="">
Elaine C. Meng, Ph.D. <br class="">
UCSF Chimera(X) team<br class="">
Department of Pharmaceutical Chemistry<br class="">
University of California, San Francisco<br class="">
<br class="">
<blockquote type="cite" class="">On Nov 3, 2021, at 1:10 PM, Gupta, Arun via ChimeraX-users <<a href="mailto:chimerax-users@cgl.ucsf.edu" class="">chimerax-users@cgl.ucsf.edu</a>> wrote:<br class="">
<br class="">
Hello, <br class="">
I was wondering is there a quick fix way around by which we can define in an automated fashion the numbering and further labelling of secondary structural elements labels, alongside the structure, based on “dssp” described symbol notation "for example starting
from á1/â1-á10/â14 " for any protein instead of manually labelling later in Power point. <br class="">
Thanks a lot! <br class="">
Arun <br class="">
</blockquote>
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