<div dir="ltr"><div><div><div>Hi Elaine:<br><br></div>Great!<br><br></div>thank you<br></div>francesco<br></div><div class="gmail_extra"><br><div class="gmail_quote">On Mon, Oct 16, 2017 at 5:58 PM, Elaine Meng <span dir="ltr"><<a href="mailto:meng@cgl.ucsf.edu" target="_blank">meng@cgl.ucsf.edu</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Hi Francesco,<br>
The symbol for intersection is “&” ... in other words, you could use<br>
<br>
select :17 & @/pdbSegment=A1<br>
<br>
Intersection and union symbols are explained here:<br>
<<a href="http://www.rbvi.ucsf.edu/home/meng/docs/UsersGuide/midas/atom_spec.html#combinations" rel="noreferrer" target="_blank">http://www.rbvi.ucsf.edu/<wbr>home/meng/docs/UsersGuide/<wbr>midas/atom_spec.html#<wbr>combinations</a>><br>
<span class=""><br>
I hope this helps,<br>
Elaine<br>
<br>
</span><span class="">> On Oct 16, 2017, at 12:29 AM, Francesco Pietra <<a href="mailto:chiendarret@gmail.com">chiendarret@gmail.com</a>> wrote:<br>
><br>
> Hi Elaine:<br>
</span><span class="">> That works fine. However, I was unable to extend your suggestions to pick up a specific residue within a specific chain. Neither "select :17 @/pdbSegment=A1" nor "select @/pdbSegment=A1 :17" are valid commands (obviously expected).<br>
><br>
> On the other hand, with such complex situations, it is Xplor, with its segname features, that helps.<br>
><br>
> Should you need a pdb fine with segname, I could attach a simple one, with a single chain.<br>
><br>
> On Sun, Oct 15, 2017 at 8:04 PM, Elaine Meng <<a href="mailto:meng@cgl.ucsf.edu">meng@cgl.ucsf.edu</a>> wrote:<br>
> Hi Francesco,<br>
> Although I don’t have an example file with segnames to try myself, I’m told you can specify by the atom attribute pdbSegment, e.g.<br>
><br>
> select @/pdbSegment=A1<br>
> color red @/pdbSegment=F3<br>
><br>
> I hope this helps,<br>
> Elaine<br>
><br>
</span><span class="">> > On Oct 15, 2017, at 10:40 AM, Francesco Pietra <<a href="mailto:chiendarret@gmail.com">chiendarret@gmail.com</a>> wrote:<br>
> ><br>
> > Hi Elaine:<br>
> ><br>
> > I am referring to Oct 28, 2005, at 9:50 AM, Eric Gillitzer wrote:<br>
> > and your answer:<br>
> ><br>
> > command: select :45.a-d > or > command: select :45.* > > Or, to select residue 45 in just chains A and D: > > command: select :45.a,45.d<br>
> ><br>
> > I have a more complex case, where chains are defined by segname,<br>
> > for example<br>
> ><br>
> > A1 A2 A3 A4 A5 etc<br>
> ><br>
> > while the standard PDB definition is "A" for all them.<br>
> ><br>
> > The same for standard "B", "C" etc.<br>
> ><br>
> > As I want to display a movie of ligand pathways, where the ligand<br>
> > moves from, say, "A1" to, say, "F3", I want in the first instance<br>
> > become able to select particular residues in particular chains,<br>
> > as defined by their segname.<br>
> ><br>
> > Could you imagine a simple way not requiring selection by atom numbers?<br>
> > Thanks<br>
> > francesco pietra<br>
><br>
><br>
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</blockquote></div><br></div>