Hello,<br><br>I have a small suggestion for an additional feature for Chimera that I
think would be useful. I often look at structures of multiple small
molecules, some artificial and some real, and I noticed something
interesting with the way Chimera writes mol2 files.<br>
<br>Here is Scenario 1: <br><br>1) I open a mol2 file that contains multiple molecules flagged as "separate" <span class="yshortcuts" id="lw_1252109286_0">MOLECULEs</span>. <br><br>2)
I save the loaded file as mol2 and select "a <span style="border-bottom: 1px dashed rgb(0, 102, 204); cursor: pointer;" class="yshortcuts" id="lw_1252109286_1">single file</span> [combined
@<span class="yshortcuts" id="lw_1252109286_2">MOLECULE</span> section]" for the "Save multiple models in" option.<div class="im"><br>
<br>3) After saving and reloading this new mol2 file that now has a
single MOLECULE section, all the "names" of the previous molecules have
been lost. (ex. s-030, s-048, s-055, etc...) Instead in the
<span class="yshortcuts" id="lw_1252109286_3">SUBSTRUCTURE</span> section "UNK0" is used.<br>
<br></div>It would useful if Chimera could name the components of the
new single molecule with the proper names. I could easily write a
script to fix this after the fact but I thought it might be a useful
option for other people too?<br>
<br>Scenario 2:<br><br>1) Same as 1 above.<br>2) Now I want to save all
the MOLECULEs in the file as separate mol2 files but with the proper
"names" that are listed in the original file loaded. Currently the
only option is to provide a common name and to append the "model
number". It would be nice if we were allowed to NOT provide a common
name and allow it to name all the files according to the molecule
"names" not model numbers.<div><br>Thanks for your time :-)<br> </div><font size="5"><span style="font-weight: bold;"><span style="color: rgb(64, 64, 255);"><span style="font-family: times new roman,new york,times,serif;"><font style="color: rgb(0, 0, 191);" size="3">Rocco</font><br>
<br style="font-family: times new roman,new york,times,serif;"></span><br></span></span></font><div><br></div>