<div dir="ltr">Thank you Eric. </div><div class="gmail_extra"><br><div class="gmail_quote">On Thu, Dec 1, 2016 at 1:40 PM, 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">Hi Soumya,<div><span class="m_-4537865083537037053Apple-tab-span" style="white-space:pre-wrap"> </span>Depends on your familiarity with Python really. If you don’t know Python well then it might be easier to parse the reply log. If you have some familiarity with Python then you would use the Python equivalents of the angle/distance commands to get the values and write them to a file (runCommand never returns a value itself).</div><div><span class="m_-4537865083537037053Apple-tab-span" style="white-space:pre-wrap"> </span>In Python, you could use runCommand to select the atoms you want to measure and then:</div><div><br></div><div><u>Outside the loop</u></div><div>from Midas import distance, angle</div><div><br></div><div><u>Inside the loop, either</u></div><div><span class="m_-4537865083537037053Apple-tab-span" style="white-space:pre-wrap"> </span>d = distance()</div><div><span class="m_-4537865083537037053Apple-tab-span" style="white-space:pre-wrap"> </span>… write the distance to a file...</div><div><br></div><div><u>or</u></div><div><span class="m_-4537865083537037053Apple-tab-span" style="white-space:pre-wrap"> </span>a = angle()</div><div><div><span class="m_-4537865083537037053Apple-tab-span" style="white-space:pre-wrap"> </span>… write the angle to a file...</div></div><div><br></div><div>—Eric</div><div><br></div><div><br><div>
<div style="color:rgb(0,0,0);letter-spacing:normal;text-align:start;text-indent:0px;text-transform:none;white-space:normal;word-spacing:0px;word-wrap:break-word"><div><span class="m_-4537865083537037053Apple-tab-span" style="white-space:pre-wrap"> </span>Eric Pettersen</div><div><span class="m_-4537865083537037053Apple-tab-span" style="white-space:pre-wrap"> </span>UCSF Computer Graphics Lab</div><div><br></div></div><br class="m_-4537865083537037053Apple-interchange-newline"><br class="m_-4537865083537037053Apple-interchange-newline">
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<br><div><blockquote type="cite"><div><div class="h5"><div>On Dec 1, 2016, at 12:15 PM, Soumya Govinda Remesh <<a href="mailto:sgremesh@lbl.gov" target="_blank">sgremesh@lbl.gov</a>> wrote:</div><br class="m_-4537865083537037053Apple-interchange-newline"></div></div><div><div><div class="h5"><div dir="ltr">Hello,<div><br></div><div> I have just modified the loop script available here (<a href="http://www.rbvi.ucsf.edu/chimera/docs/ProgrammersGuide/basicPrimer.html" target="_blank">http://www.rbvi.ucsf.edu/<wbr>chimera/docs/ProgrammersGuide/<wbr>basicPrimer.html</a>) </div><div>to measure certain angles and distances. I just want to know if there is a way to export the individual values of angles and distances to a file other than parsing from the reply-log. Thank you.</div><div><br></div><div>Best, <div class="m_-4537865083537037053gmail_signature"><div dir="ltr">Soumya Govinda Remesh, Ph.D.<div><span style="font-size:12.8px">Postdoctoral Fellow at Advanced Light Source</span><br style="font-size:12.8px"><span style="font-size:12.8px">Lawrence Berkeley National Laboratory</span><br style="font-size:12.8px"><br style="font-size:12.8px"><span style="font-size:12.8px">1 Cyclotron Road MS 6R2100</span><br style="font-size:12.8px"><span style="font-size:12.8px">Berkeley, CA 94720</span><br style="font-size:12.8px"><span style="font-size:12.8px">(phone) </span><a href="tel:510-495-8179" value="+15104958179" style="color:rgb(17,85,204);font-size:12.8px" target="_blank">510-495-8179</a><br style="font-size:12.8px"><span style="font-size:12.8px">(cell) <a href="tel:(804)%20402-8730" value="+18044028730" target="_blank">804-402-8730</a></span></div><div><br style="font-size:12.8px"><a href="mailto:sgremesh@lbl.gov" target="_blank">sgremesh@lbl.gov</a><br><div><br></div></div></div></div>
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______________________________<wbr>_________________<br>Chimera-users mailing list: <a href="mailto:Chimera-users@cgl.ucsf.edu" target="_blank">Chimera-users@cgl.ucsf.edu</a><br>Manage subscription: <a href="http://plato.cgl.ucsf.edu/mailman/listinfo/chimera-users" target="_blank">http://plato.cgl.ucsf.edu/<wbr>mailman/listinfo/chimera-users</a><br></div></blockquote></div><br></div></div></blockquote></div><br><br clear="all"><div><br></div>-- <br><div class="gmail_signature" data-smartmail="gmail_signature"><div dir="ltr">Soumya Govinda Remesh, Ph.D.<div><span style="font-size:12.8px">Postdoctoral Fellow at Advanced Light Source</span><br style="font-size:12.8px"><span style="font-size:12.8px">Lawrence Berkeley National Laboratory</span><br style="font-size:12.8px"><br style="font-size:12.8px"><span style="font-size:12.8px">1 Cyclotron Road MS 6R2100</span><br style="font-size:12.8px"><span style="font-size:12.8px">Berkeley, CA 94720</span><br style="font-size:12.8px"><span style="font-size:12.8px">(phone) </span><a href="tel:510-495-8179" value="+15104958179" style="color:rgb(17,85,204);font-size:12.8px" target="_blank">510-495-8179</a><br style="font-size:12.8px"><span style="font-size:12.8px">(cell) 804-402-8730</span></div><div><br style="font-size:12.8px"><a href="mailto:sgremesh@lbl.gov" target="_blank">sgremesh@lbl.gov</a><br><div><br></div></div></div></div>
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