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Thanks Eric, that's exactly what I need.
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-----原始邮件-----<br>
<b>发件人:</b><span id="rc_from">"Eric Pettersen" <pett@cgl.ucsf.edu></span><br>
<b>发送时间:</b><span id="rc_senttime">2022-12-28 03:20:05 (星期三)</span><br>
<b>收件人:</b> "夏前程" <xiaqiancheng@nibs.ac.cn><br>
<b>抄送:</b> Chimera <chimera-users@cgl.ucsf.edu><br>
<b>主题:</b> Re: [Chimera-users] Is there an option to open pdbqt as PDB format smoothly?<br>
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Hi Qiancheng,
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<span class="Apple-tab-span" style="white-space:pre;"> </span>You would need to modify <your Chimera installation>/share/chimera/__init__.py. On line 1436, change:
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_openPDBModel, (".pdb", ".pdb1", ".ent", ".pqr"), ("pdb",),<br class="">
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to:
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_openPDBModel, (".pdb", ".pdb1", ".ent", ".pqr", ".pdbqt"), ("pdb",),
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keeping the indentation the same. On a Mac, <your Chimera installation> is Chimera.app/Contents/Resources.
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--Eric
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<span class="Apple-tab-span" style="white-space:pre;"> </span>Eric Pettersen
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<span class="Apple-tab-span" style="white-space:pre;"> </span>UCSF Computer Graphics Lab
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On Dec 23, 2022, at 5:20 AM, 夏前程 via Chimera-users <<a href="mailto:chimera-users@cgl.ucsf.edu" class="">chimera-users@cgl.ucsf.edu</a>> wrote:
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Hi Chimera team,
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I'm wondering if there is any chance that I can open a .pdbqt file smoothly (just <span style="white-space:normal;" class="">like open a .pdb file </span>) through some strategies (for example, maybe modifying some source codes?).
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Since AutoDock (and vina) always gives a .pdbqt format file but not .pdb format, however the content of which is somewhat like pdb and we always want to open it in pdb format.
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This is not an important issue. But if so, the experience will be much better at least for me (Now, I have to choose the PDB format or rename the file suffix into .pdb).
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With Regards
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Qiancheng Xia
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2022/12/23
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