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<p>Hi guys!</p>
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<p>Thanks for those tips! I managed to install it after patching unixccompiler.py in Chimera's distutils. I was using Chimera 1.10.2 with Python 2.7.8 so maybe that's already fixed in a more recent version, but I had installed a lot of packages a didn't feel
 like going through that hassle again.</p>
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<p>I detailed my adventure in a post in OpenMM forums, so if somebody is experiencing the same issue, go to:&nbsp;<a href="https://simtk.org/forums/viewtopic.php?f=161&amp;t=6158&amp;p=15787#p15787" id="LPlnk713491" title="https://simtk.org/forums/viewtopic.php?f=161&amp;amp;t=6158&amp;amp;p=15787#p15787
Ctrl&#43;Haga clic o puntee para seguir el vínculo">https://simtk.org/forums/viewtopic.php?f=161&amp;t=6158&amp;p=15787#p15787</a></p>
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<p>Thanks again!</p>
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<p>PS: Eric, yes, I did know about MMTK in Chimera, but I am trying to do some GPU accelerated calculations. Thanks anyway! :)</p>
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<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" color="#000000" style="font-size:11pt"><b>De:</b> Eric Pettersen &lt;pett@cgl.ucsf.edu&gt;<br>
<b>Enviado:</b> martes, 1 de diciembre de 2015 2:36<br>
<b>Para:</b> Jaime Rodríguez-Guerra Pedregal<br>
<b>Cc:</b> chimera-users@cgl.ucsf.edu<br>
<b>Asunto:</b> Re: [Chimera-users] Installing OpenMM in Chimera</font>
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<div>Hi Jaime,
<div class=""><span class="Apple-tab-span" style="white-space:pre"></span>You don&#8217;t say exactly what your goal is with the MD, but I feel like I should point out that in the daily build you can run MD via the included MMTK library. &nbsp;The code is in the &#8220;md&#8221;
 module and the interface in the the MD/Ensemble Analysis category of tools. &nbsp;Of course, OpenMM offers different capabilties and maybe you need those specifically&#8230;</div>
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<div class="">&#8212;Eric</div>
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<div class=""><span class="Apple-tab-span" style="white-space:pre"></span>Eric Pettersen</div>
<div class=""><span class="Apple-tab-span" style="white-space:pre"></span>UCSF Computer Graphics Lab</div>
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<div class="">On Nov 30, 2015, at 9:04 AM, Jaime Rodríguez-Guerra Pedregal &lt;<a href="mailto:Jaime.RodriguezGuerra@uab.cat" class="">Jaime.RodriguezGuerra@uab.cat</a>&gt; wrote:</div>
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<div class="" style="margin-top:0px; margin-bottom:0px">Hello,</div>
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<div class="" style="margin-top:0px; margin-bottom:0px">I am trying to install OpenMM in Chimera to script some molecular dynamics. However, I am struggling to make it work, since the build fails with this error:</div>
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<div class="">g&#43;&#43; -pthread -fPIC -mtune=generic -m64 -I/home/chimera/chimeraBuild_X11/build/build/include -L/home/chimera/chimeraBuild_X11/build/build/lib -DUSE_DYLD_GLOBAL_NAMESPACE -shared -Wl,--hash-style=both build/temp.linux-x86_64-2.7/src/swig_doxygen/OpenMMSwig.o
 -L/lib -R/lib -lOpenMM -lOpenMMAmoeba -lOpenMMRPMD -lOpenMMDrude -o build/lib.linux-x86_64-2.7/simtk/openmm/_openmm.so</div>
<div class="">g&#43;&#43;: error: unrecognized command line option &#8216;-R&#8217;</div>
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which is probably not related to Chimera at all.
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<div class="" style="margin-top:0px; margin-bottom:0px">What I've done so far:</div>
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<div class="" style="margin-top:0px; margin-bottom:0px">1. Download precompiled&nbsp;binaries for Linux from their site:&nbsp;<a href="https://simtk.org/project/xml/downloads.xml?group_id=161" id="LPlnk393679" title="https://simtk.org/project/xml/downloads.xml?group_id=161
Ctrl&#43;Haga clic o puntee para seguir el vínculo" class="">https://simtk.org/project/xml/downloads.xml?group_id=161</a></div>
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<div class="" style="margin-top:0px; margin-bottom:0px">2. Extract that file and merge the contents of the directories &quot;include&quot; and &quot;lib&quot; with those in Chimera root path.</div>
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<div class="" style="margin-top:0px; margin-bottom:0px">3. Cd into the python directory of the extracted file and run:&nbsp;chimera --nogui --script &quot;setup.py install&quot;.&nbsp;</div>
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<div class="" style="margin-top:0px; margin-bottom:0px">Has somebody been successful with this package? I know it seems more of a compiler issue, but maybe Chimera is doing some trickery with the build mechanism too.</div>
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<div class="" style="margin-top:0px; margin-bottom:0px">Thank you in advance,</div>
<div class="" style="margin-top:0px; margin-bottom:0px">Jaime.</div>
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