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<p>Thanks Eric. <br>
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<p>Reza<br>
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<p><br>
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<div name="divtagdefaultwrapper" style="font-family:Calibri,Arial,Helvetica,sans-serif; font-size:; margin:0">
Reza Khayat, PhD
<div>Associate Professor </div>
<div>City College of New York</div>
<div>Department of Chemistry and Biochemistry</div>
<div>New York, NY 10031</div>
</div>
</div>
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<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" color="#000000" style="font-size:11pt"><b>From:</b> Eric Pettersen <pett@cgl.ucsf.edu><br>
<b>Sent:</b> Tuesday, October 13, 2020 12:34 PM<br>
<b>To:</b> Reza Khayat<br>
<b>Cc:</b> chimera-users@cgl.ucsf.edu<br>
<b>Subject:</b> [EXTERNAL] Re: [Chimera-users] MOLE 2.5 plugin</font>
<div> </div>
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<div>Hi Reza,
<div class=""><span class="Apple-tab-span" style="white-space:pre"></span>MOLE is trying to write its settings file in the "current directory", which if you started Chimera by clicking its icon is probably some system directory that you don't have write permission
for. So the trick is to change the current directory to something that you do have write permission for before you start MOLE. You can do this with the "cd" command (Favorites→Command Line). Specifically just typing "cd" will change the current directory
to your home directory, and will allow MOLE to write its settings file.</div>
<div class=""><br class="">
</div>
<div class="">
<div class="">--Eric</div>
<div class=""><br class="">
</div>
<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>
<div class=""><br class="">
</div>
<div><br class="">
<blockquote type="cite" class="">
<div class="">On Oct 13, 2020, at 9:25 AM, Reza Khayat <<a href="mailto:rkhayat@ccny.cuny.edu" class="">rkhayat@ccny.cuny.edu</a>> wrote:</div>
<br class="Apple-interchange-newline">
<div class="">
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Hi,</div>
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I'm receiving the following error when launching the MOLE 2.5 plugin from Chimera. The plugin was installed as suggested by the developers:<br class="">
</div>
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Favorites -> Preferences -> Add -> Select directory<br class="">
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The plugin's icon appears in my tool bar. However, launching it generates the following error in the Reply Log.<br class="">
</div>
<div class="" style="font-family:Calibri,Arial,Helvetica,sans-serif; font-size:16px; font-style:normal; font-weight:normal; letter-spacing:normal; text-align:start; text-indent:0px; text-transform:none; white-space:normal; word-spacing:0px; background-color:rgb(255,255,255); text-decoration:none">
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Traceback (most recent call last):</div>
<div class="" style="font-family:Calibri,Arial,Helvetica,sans-serif; font-size:16px; font-style:normal; font-weight:normal; letter-spacing:normal; text-align:start; text-indent:0px; text-transform:none; white-space:normal; word-spacing:0px; background-color:rgb(255,255,255); text-decoration:none">
File "C:\Program Files\Chimera 1.13.1rc\share\chimera\toolbar.py", line 26, in _guard</div>
<div class="" style="font-family:Calibri,Arial,Helvetica,sans-serif; font-size:16px; font-style:normal; font-weight:normal; letter-spacing:normal; text-align:start; text-indent:0px; text-transform:none; white-space:normal; word-spacing:0px; background-color:rgb(255,255,255); text-decoration:none">
func()</div>
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File "C:\Mole2_ui\MOLE2_5\MainWindow.py", line 954, in <lambda></div>
<div class="" style="font-family:Calibri,Arial,Helvetica,sans-serif; font-size:16px; font-style:normal; font-weight:normal; letter-spacing:normal; text-align:start; text-indent:0px; text-transform:none; white-space:normal; word-spacing:0px; background-color:rgb(255,255,255); text-decoration:none">
icon, lambda d=chimera.dialogs.display, n=MainWindow.name: d(n), 'MOLE 2.5', None)</div>
<div class="" style="font-family:Calibri,Arial,Helvetica,sans-serif; font-size:16px; font-style:normal; font-weight:normal; letter-spacing:normal; text-align:start; text-indent:0px; text-transform:none; white-space:normal; word-spacing:0px; background-color:rgb(255,255,255); text-decoration:none">
File "C:\Program Files\Chimera 1.13.1rc\share\chimera\dialogs.py", line 76, in display</div>
<div class="" style="font-family:Calibri,Arial,Helvetica,sans-serif; font-size:16px; font-style:normal; font-weight:normal; letter-spacing:normal; text-align:start; text-indent:0px; text-transform:none; white-space:normal; word-spacing:0px; background-color:rgb(255,255,255); text-decoration:none">
dialog = find(name, create=1)</div>
<div class="" style="font-family:Calibri,Arial,Helvetica,sans-serif; font-size:16px; font-style:normal; font-weight:normal; letter-spacing:normal; text-align:start; text-indent:0px; text-transform:none; white-space:normal; word-spacing:0px; background-color:rgb(255,255,255); text-decoration:none">
File "C:\Program Files\Chimera 1.13.1rc\share\chimera\dialogs.py", line 61, in find</div>
<div class="" style="font-family:Calibri,Arial,Helvetica,sans-serif; font-size:16px; font-style:normal; font-weight:normal; letter-spacing:normal; text-align:start; text-indent:0px; text-transform:none; white-space:normal; word-spacing:0px; background-color:rgb(255,255,255); text-decoration:none">
return d()</div>
<div class="" style="font-family:Calibri,Arial,Helvetica,sans-serif; font-size:16px; font-style:normal; font-weight:normal; letter-spacing:normal; text-align:start; text-indent:0px; text-transform:none; white-space:normal; word-spacing:0px; background-color:rgb(255,255,255); text-decoration:none">
File "C:\Mole2_ui\MOLE2_5\MainWindow.py", line 353, in __init__</div>
<div class="" style="font-family:Calibri,Arial,Helvetica,sans-serif; font-size:16px; font-style:normal; font-weight:normal; letter-spacing:normal; text-align:start; text-indent:0px; text-transform:none; white-space:normal; word-spacing:0px; background-color:rgb(255,255,255); text-decoration:none">
with open(CONFIGFILE, 'w') as f:</div>
<div class="" style="font-family:Calibri,Arial,Helvetica,sans-serif; font-size:16px; font-style:normal; font-weight:normal; letter-spacing:normal; text-align:start; text-indent:0px; text-transform:none; white-space:normal; word-spacing:0px; background-color:rgb(255,255,255); text-decoration:none">
IOError: [Errno 13] Permission denied: '.MOLE_PluginSettings.txt'</div>
<div class="" style="font-family:Calibri,Arial,Helvetica,sans-serif; font-size:16px; font-style:normal; font-weight:normal; letter-spacing:normal; text-align:start; text-indent:0px; text-transform:none; white-space:normal; word-spacing:0px; background-color:rgb(255,255,255); text-decoration:none">
Error in toolbar callback:</div>
<div class="" style="font-family:Calibri,Arial,Helvetica,sans-serif; font-size:16px; font-style:normal; font-weight:normal; letter-spacing:normal; text-align:start; text-indent:0px; text-transform:none; white-space:normal; word-spacing:0px; background-color:rgb(255,255,255); text-decoration:none">
IOError: [Errno 13] Permission denied: '.MOLE_PluginSettings.txt'</div>
<div class="" style="font-family:Calibri,Arial,Helvetica,sans-serif; font-size:16px; font-style:normal; font-weight:normal; letter-spacing:normal; text-align:start; text-indent:0px; text-transform:none; white-space:normal; word-spacing:0px; background-color:rgb(255,255,255); text-decoration:none">
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File "C:\Mole2_ui\MOLE2_5\MainWindow.py", line 353, in __init__</div>
<div class="" style="font-family:Calibri,Arial,Helvetica,sans-serif; font-size:16px; font-style:normal; font-weight:normal; letter-spacing:normal; text-align:start; text-indent:0px; text-transform:none; white-space:normal; word-spacing:0px; background-color:rgb(255,255,255); text-decoration:none">
with open(CONFIGFILE, 'w') as f:</div>
<div class="" style="font-family:Calibri,Arial,Helvetica,sans-serif; font-size:16px; font-style:normal; font-weight:normal; letter-spacing:normal; text-align:start; text-indent:0px; text-transform:none; white-space:normal; word-spacing:0px; background-color:rgb(255,255,255); text-decoration:none">
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See reply log for Python traceback.<br class="">
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Any help is appreciated. <br class="">
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<br class="">
Best wishes,<br class="">
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<div class="" style="margin-top:0px; margin-bottom:0px; font-family:Calibri,Arial,Helvetica,sans-serif; font-size:16px; font-style:normal; font-weight:normal; letter-spacing:normal; text-align:start; text-indent:0px; text-transform:none; white-space:normal; word-spacing:0px; background-color:rgb(255,255,255); text-decoration:none">
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<div id="Signature" class="" style="font-family:Calibri,Arial,Helvetica,sans-serif; font-size:16px; font-style:normal; font-weight:normal; letter-spacing:normal; text-align:start; text-indent:0px; text-transform:none; white-space:normal; word-spacing:0px; background-color:rgb(255,255,255); text-decoration:none">
<div name="divtagdefaultwrapper" class="" style="font-family:Calibri,Arial,Helvetica,sans-serif; margin:0px">
Reza Khayat, PhD
<div class="">Associate Professor </div>
<div class="">City College of New York</div>
<div class="">Department of Chemistry and Biochemistry</div>
<div class="">New York, NY 10031</div>
</div>
</div>
<span class="" style="font-family:Calibri,Arial,Helvetica,sans-serif; font-size:16px; font-style:normal; font-weight:normal; letter-spacing:normal; text-align:start; text-indent:0px; text-transform:none; white-space:normal; word-spacing:0px; background-color:rgb(255,255,255); text-decoration:none; float:none; display:inline!important">_______________________________________________</span><br class="" style="font-family:Calibri,Arial,Helvetica,sans-serif; font-size:16px; font-style:normal; font-weight:normal; letter-spacing:normal; text-align:start; text-indent:0px; text-transform:none; white-space:normal; word-spacing:0px; background-color:rgb(255,255,255); text-decoration:none">
<span class="" style="font-family:Calibri,Arial,Helvetica,sans-serif; font-size:16px; font-style:normal; font-weight:normal; letter-spacing:normal; text-align:start; text-indent:0px; text-transform:none; white-space:normal; word-spacing:0px; background-color:rgb(255,255,255); text-decoration:none; float:none; display:inline!important">Chimera-users
mailing list:<span class="Apple-converted-space"> </span></span><a href="mailto:Chimera-users@cgl.ucsf.edu" class="" style="font-family:Calibri,Arial,Helvetica,sans-serif; font-size:16px; font-style:normal; font-weight:normal; letter-spacing:normal; orphans:auto; text-align:start; text-indent:0px; text-transform:none; white-space:normal; widows:auto; word-spacing:0px; background-color:rgb(255,255,255)">Chimera-users@cgl.ucsf.edu</a><br class="" style="font-family:Calibri,Arial,Helvetica,sans-serif; font-size:16px; font-style:normal; font-weight:normal; letter-spacing:normal; text-align:start; text-indent:0px; text-transform:none; white-space:normal; word-spacing:0px; background-color:rgb(255,255,255); text-decoration:none">
<span class="" style="font-family:Calibri,Arial,Helvetica,sans-serif; font-size:16px; font-style:normal; font-weight:normal; letter-spacing:normal; text-align:start; text-indent:0px; text-transform:none; white-space:normal; word-spacing:0px; background-color:rgb(255,255,255); text-decoration:none; float:none; display:inline!important">Manage
subscription:<span class="Apple-converted-space"> </span></span><a href="https://urldefense.proofpoint.com/v2/url?u=https-3A__plato.cgl.ucsf.edu_mailman_listinfo_chimera-2Dusers&d=DwMFaQ&c=4NmamNZG3KTnUCoC6InoLJ6KV1tbVKrkZXHRwtIMGmo&r=1DzJFW0v6TgEhkW1gy_-ke-RbtvS1fzEbD5_hcb9Up0&m=ps3FsQVk1T3o_UPU5NnOfChxCxq93ZR2YCvS90rai_I&s=Mum_VldTiqBeGDqgceva7-kG8hGtXH1Fc0cmqSXuBIo&e=" class="" style="font-family:Calibri,Arial,Helvetica,sans-serif; font-size:16px; font-style:normal; font-weight:normal; letter-spacing:normal; orphans:auto; text-align:start; text-indent:0px; text-transform:none; white-space:normal; widows:auto; word-spacing:0px; background-color:rgb(255,255,255)">https://plato.cgl.ucsf.edu/mailman/listinfo/chimera-users</a><br class="" style="font-family:Calibri,Arial,Helvetica,sans-serif; font-size:16px; font-style:normal; font-weight:normal; letter-spacing:normal; text-align:start; text-indent:0px; text-transform:none; white-space:normal; word-spacing:0px; background-color:rgb(255,255,255); text-decoration:none">
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