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<div class="moz-cite-prefix">Hi, Dieter, I had some trouble too
because the installation script is specific to installation in the
user's home directory, as shown in the instructions. Since I was
installing elsewhere, I had to modify install_cryoFIT.py to
specify my install location. The two lines I edited are below
(N.B. change your_installation_directory). After that change the
installation succeeded. <br>
<br>
home_dir = expanduser("your_installation_directory")<br>
<br>
src_dir = home_dir + "/src"<br>
<br>
Michael<br>
<br>
On 02/13/2018 01:39 AM, Dieter Blaas wrote:<br>
</div>
<blockquote
cite="mid:56b1c0a2-2f8b-0085-2c60-dba69af30836@meduniwien.ac.at"
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<p>Dear colleagues,</p>
<p> has anybody already installed and tested CryoFit and could
give me a hint as to how to install it? I tried to do so by
following the description on the Github site but so far failed.
Thanks, Dieter<br>
</p>
<pre class="moz-signature" cols="72">------------------------------------------------------------------------
Dieter Blaas,
Max F. Perutz Laboratories
Medical University of Vienna,
Inst. Med. Biochem., Vienna Biocenter (VBC),
Dr. Bohr Gasse 9/3,
A-1030 Vienna, Austria,
Tel: 0043 1 4277 61630,
Fax: 0043 1 4277 9616,
e-mail: <a moz-do-not-send="true" class="moz-txt-link-abbreviated" href="mailto:dieter.blaas@meduniwien.ac.at">dieter.blaas@meduniwien.ac.at</a>
------------------------------------------------------------------------</pre>
<div class="moz-cite-prefix">Am 07.02.2018 um 10:10 schrieb
Sanbonmatsu, Karissa Yoshiko:<br>
</div>
<blockquote type="cite"
cite="mid:91886037451647b790b8b995e7235c64@lanl.gov">
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<p>Dear colleagues,</p>
<p><br>
</p>
<p>We are excited to announce the release of CryoFIT, a
program for fitting <span style="font-size: 12pt;">atomistic
models to cryo-EM maps. The current version is designed
for </span><span style="font-size: 12pt;">fitting lower
resolution maps but this does not preclude use with
higher </span><span style="font-size: 12pt;">resolution
maps. The CryoFIT module is built on Gromacs and
accessible </span><span style="font-size: 12pt;">through
Phenix (<a moz-do-not-send="true"
class="moz-txt-link-freetext"
href="https://www.phenix-online.org/documentation/reference/">https://www.phenix-online.org/documentation/reference/</a></span><span
style="font-size: 12pt;">cryo_fit.html), currently
via GitHub. It supports both the Phenix GUI and </span><span
style="font-size: 12pt;">the command line. CryoFIT is
based on the algorithm in Kirmiziatltin, et </span><span
style="font-size: 12pt;">al., Methods of Enzymology 2015 (<a
href="https://doi.org/10.1016/bs.mie.2015.02.011"
class="OWAAutoLink" id="LPlnk122829"
previewremoved="true" moz-do-not-send="true">https://doi.org/10.1016/bs.mie.2015.02.011</a>). </span><span
style="font-size: 12pt;">This is an alpha version. Please
send any feature requests and bug reports </span><span
style="font-size: 12pt;">to Doo Nam Kim (doonam at
lanl.gov).</span></p>
<p><span style="font-size: 12pt;"><br>
</span></p>
<p>Happy Modeling!</p>
<p><br>
</p>
<p>Karissa</p>
<p><br>
</p>
<div id="Signature">
<div style="font-family:Tahoma; font-size:13px">
<div style="font-family:Tahoma; font-size:13px">
<div style="font-family:Tahoma; font-size:13px">
<div style="font-family:Tahoma; font-size:13px">
<p class="p1">***********************************</p>
<p class="p1">Karissa Y. Sanbonmatsu</p>
<p class="p1">Principal Investigator</p>
<p class="p1">Theoretical Biology and Biophysics</p>
<p class="p1">Theoretical Division</p>
<p class="p1">Los Alamos National Laboratory</p>
<p class="p1"><a moz-do-not-send="true"
class="moz-txt-link-freetext"
href="http://www.lanl.gov/projects/karissa">http://www.lanl.gov/projects/karissa</a></p>
<p class="p1"><a href="http://www.t6.lanl.gov/kys"
target="_blank" id="LPNoLP"
moz-do-not-send="true">http://www.t10.lanl.gov/kys</a></p>
<p class="p1">***********************************</p>
</div>
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