[EMAIL PROTECTED] wrote:
>this was in my drafts box. Not sure I sent it.
>
>Rick,
>
>Gotta think out of the box on this one.
>
>
>>Is there a way to label a line or plane created by the "draw" command?
>>
>>i.e. draw line1 {0.0 0.0 0.0} {4.0 0.0 0.0}; select $line1; label "x";
>>
>
>Ahhh, custom axes, eh?
>
>No, sorry, can't do that. Labels are strictly properties of atoms. And you
>can only select atoms as well, not drawn objects.
>
>Depends how much control you have over your subject matter. Here's what I
>would do:
>
>1) Create a file labels.xyz:
>
>2
>just 2 labels
>He 4.1 0.0 0.0
>Xe -0.1 0.0 0.0
>
>2) load labels.xyz along with your file:
>
>
>load "fileset" "myfile.xyz" "labels.xyz"
>restrict */1001 # turn off all atoms in second "labels" frame
>frame 0;
>draw xaxis {0 0 0} {4 0 0} #property of both frames
>select _He; label x #label is in frame 2001
>select _Xe; label 0 #label is in frame 2001
>
>frame 1001 # no labels
>frame 2001 # no molecule
>frame 0 # everything
>
>
>The frame command just prior to draw determines what you see when.
>
>
>load "fileset" "myfile.xyz" "labels.xyz"
>restrict */1001 # turn off all atoms in second "labels" frame
>frame 1001;
>draw xaxis {0 0 0} {4 0 0} #property of frame 1001
>select _He; label x #label is in frame 2001
>select _Xe; label 0 #label is in frame 2001
>
>frame 1001 # molecule, axis, but no labels
>frame 2001 # just labels
>frame 0 # everything
>
>
>or
>
>
>load "fileset" "myfile.xyz" "labels.xyz"
>restrict */1001 # turn off all atoms in second "labels" frame
>frame 2001
>draw xaxis {0 0 0} {4 0 0} #property of frame 2001
>select _He; label x #label is in frame 2001
>select _Xe; label 0 #label is in frame 2001
>
>frame 1001 # no axis or labels
>frame 2001 # no molecule
>frame 0 # everything
>
>
>
This "fake atom" solution has several disadvantages. One disadvatage is,
that you have to know exactly where to place the fake atom. This means
you have to know how Jmol determines the coordinates of the reference
points for the draw objects you want to label and make the same
calculation.
Another disadvantage is that a new model/frame is added to the
structure, which would be for example problematic for NMR structures
with multiple models/frames. And inserting the fake atoms into an
existing model/frame would also be problematic.
Bob, you said that it will not be possible in the current system to use
'select' or 'label' for 'draw objects'. But what do you think of the
following idea:
Implementation of the new draw object 'text', that places a text at a
specified position.
If I wanted to have for example a plane perpendicular to the line
between the alpha carbon atoms of 2 amino acid residues, labelled as
"boundary1", I could then define the following objects:
draw boundary1 PERP PLANE (atomno=15) (atomno=25);
draw boundary1_label PERP TEXT (atomno=15) (atomno=25) OFFSET {x y z}
"boundary1"
Regards,
Rolf
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