<html><body style="word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;">Hi Kenji,<div class="">This is not a bug. This is because your ligand and receptor molecules are not together in a single model, whereas if you use the same structure that the tutorial is using (or any of many other complexes from the Protein Databank), the ligand and receptor are together in the same model.</div><div class=""><br class=""></div><div class="">If you want to follow the tutorial but with your structure, you would need to combine the ligand and receptor into one model.</div><div class=""><br class=""></div><div class="">Actually your session contains 10 models, one receptor (#0.1) and 9 ligands (#0.2, #0.3 ... #0.9). I can see this by opening the Model Panel and clicking the "group/ungroup" button on the right, and then using the "S" checkboxes to show and hide each one so that I can see what they contain. Maybe the ligands are all exactly the same as each other, or at least they seem to be quite similar. </div><div class=""><img apple-inline="yes" id="57BD2C80-2398-41FE-B503-D96F8C5BD5DB" width="423" height="304" src="cid:8C6584C5-B077-46E9-89E9-382C3D446625" class=""><img apple-inline="yes" id="0B041E21-F069-4E7B-8B8B-ECA4FE7F7FAB" width="423" height="304" src="cid:89E0B75E-98E2-4A34-84AF-381270B2CE2A" class=""></div><div class=""><br class=""></div><div class="">Here are some example Chimera commands that would combine #0.1 and #0.2 to make a new model #1 and then close all of #0.1-9:</div><div class=""><br class=""></div><div class="">combine #0.1,0.2 ref #0.1 model #1</div><div class="">close #0</div><div class=""><br class=""></div><div class="">Now you have one new model #1 with both the receptor (that was originally #0.1) and the ligand (that was originally #0.2). If the other ligands are different, you would need to repeat the combining process for each one if you want to use the same approach to analyze them. </div><div class=""><br class=""></div><div class="">Chimera does not automatically recognize this specific ligand as "ligand" (I don't know why), but you can select it by its residue name LIG with menu: Select... Residue... LIG, or command:</div><div class=""><br class=""></div><div class="">select :LIG</div><div class=""><br class=""></div><div class="">Also, by default FindHBond will automatically find ALL of the H-bonds. It does not care what is selected unless you turn on the option "Only find H-bonds..." e.g. "with at least one end selected". You should also turn on "If endpoint atom hidden, shown endpoint residue" or else it will not show all of the H-bonds it finds. For this ligand, it finds 2 H-bonds as shown in the attached screenshot, with details written to Reply Log.</div><div class=""><br class=""></div><div class="">I hope this helps,</div><div class="">Elaine<br class=""><div class="">-----<br class="">Elaine C. Meng, Ph.D. <br class="">UCSF Chimera(X) team<br class="">Department of Pharmaceutical Chemistry<br class="">University of California, San Francisco<br class=""><br class=""></div><div class=""><br class="webkit-block-placeholder"></div><div class=""><img apple-inline="yes" id="D654AC13-3F1C-4D41-9CDE-598D2C5F9753" width="640" height="374" src="cid:F1D8C719-7DC0-402B-819B-E9D488A77B6B" class=""></div><div class=""><br class=""></div><blockquote type="cite" class="">On Dec 20, 2021, at 9:07 AM, Eric Pettersen via Chimera-users <<a href="mailto:chimera-users@cgl.ucsf.edu" class="">chimera-users@cgl.ucsf.edu</a>> wrote:<br class=""><br class=""><blockquote type="cite" class="">Begin forwarded message:<br class=""><br class="">From: Kenji Matsui <<a href="mailto:s214903z@st.go.tuat.ac.jp" class="">s214903z@st.go.tuat.ac.jp</a>><br class="">Subject: Chimera bug report submission<br class="">Date: December 19, 2021 at 11:33:41 PM PST<br class="">To: chimera-bugs@cgl.ucsf.edu<br class=""><br class="">The following bug report has been submitted:<br class="">Platform: windows_x86_64<br class="">Chimera Version: 1.16<br class="">Description<br class="">I would like to see the interaction between the ligand and the protein, but I was not able to display it in the way described in the tutorial. How can I do that?<br class=""><br class="">Method<br class="">select →ligand<br class=""><br class="">Tool Structure analysis Find H-bond Line length 3.0 Å <br class=""><br class="">check Relax H-bond ~, Only find, Include intera-molecular, Include intra-residue<br class=""><br class="">apply →OK<br class="">File attachment: osh4,OSW-1220.py<br class=""></blockquote><span id="cid:ABC22E76-5180-420E-BA90-47F59D535E6B"><osh4,OSW-1220.py></span><br class=""><blockquote type="cite" class=""></blockquote></blockquote><br class=""></div></body></html>