Hi, <div><br></div><div>when I try the mentioned method for the GROMACs output (xvg file, supposedly formatted for use with xmgrace) I am unable to print the standarddeviation. I f I select the XYDY method it just ignores it and plots again an XY graph. </div>
<div><br></div><div>What I then did: I stripped the file so that only residue number (column 1), average (column 2) and the standarddeviation (column 3) are in the file (each comma seperated by a single space). When i open that in xmgrace and I select the XYDY set it is displayed correctly. </div>
<div>However, this means I have to strip each file. Is there any way I can circumvent stripping every single file?</div><div><br></div><div>Best</div><div>Marc</div><div><br><div class="gmail_quote">On Wed, May 30, 2012 at 6:22 AM, Justin A. Lemkul <span dir="ltr"><<a href="mailto:jalemkul@vt.edu" target="_blank">jalemkul@vt.edu</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div><div><br>
<br>
On 5/30/12 4:58 AM, Marc Hömberger wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Hello,<br>
<br>
I am currently analyzing a bunch of trajectories and one thing I am doing is to<br>
use g_sas to generate the average and standard deviation per residue. The<br>
resulting xvg file should be formatted for use with xmgrace but I do not seem to<br>
be able to get the standard deviation in the graph. I tried searching for some<br>
hints and also looked through xmgrace's manual but there was nothing about file<br>
format where the second column is the standardeviation and how to show that in<br>
the graph. Can anyone of you maybe point me in the right direction on how to<br>
plot the averages plus the corresponding standard deviation?<br>
<br>
</blockquote>
<br></div></div>
In the window for importing data, choose "XYDY" from the "Set type" dropdown menu.<br>
<br>
-Justin<span><font color="#888888"><br>
<br>
<br>
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Justin A. Lemkul, Ph.D.<br>
Research Scientist<br>
Department of Biochemistry<br>
Virginia Tech<br>
Blacksburg, VA<br>
jalemkul[at]<a href="http://vt.edu" target="_blank">vt.edu</a> | <a href="tel:%28540%29%20231-9080" value="+15402319080" target="_blank">(540) 231-9080</a><br>
<a href="http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin" target="_blank">http://www.bevanlab.biochem.<u></u>vt.edu/Pages/Personal/justin</a><br>
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</font></span></blockquote></div><br>
</div>