Jan wrote:
Bob Hanson wrote:
...
AS A USER, WHAT DO YOU WANT?
a) Do you implement callbacks? If so, which ones?
I only use pickCallback to monitor user picking and messageCallback to
evaluate current orientation.
Great, those are easy. Check out
http://www.stolaf.edu/people/hansonr/jmol/test/json/callback.htm
b) What WOULD you use if you had it available?
the monitor/measure command, especially if there is no need for atom
numbers but select expressions could be used
Hmm. Usually for those you need an ordered list, right? But one could
imagine following the bonding in some cases.
Say more.
the show selected command to evaluate current selection
done check out http://www.stolaf.edu/people/hansonr/jmol/test/json/json.htm
c) What sort of information (exactly) are you looking for?
depends on the status of set picking, in most cases
set picking atom
show orientation
show center
RasMol>show selected group
RasMol>set picking distance
these are taken care of by getProperty(). -- no need for callbacks here.
d) Is there a particular format that you would like to see,
other than just the current text-stream of messages?
I like the ready to use command line like output, e.g.
picking should result in a ready to use select expression
[LYS]54.CD #798
is OK, it isn't difficult to filter e.g. [LYS]54.CD from this.
so, for example:
msg: 58,atomPick,296,[ASP]43.O #297
msg: 57,atomPick,223,[CYS]32.N #224
msg: 56,atomPick,222,[GLY]31.O #223
msg: 55,atomPick,226,[CYS]32.O #227
right?
$ show orientation
moveto 1 -1000 0 0 180.0;
OR
reset; rotate z 180.0; rotate y 180.0;
no problem.
getProperty("orientationInfo")
orientationInfo=new Array()
orientationInfo.moveTo="moveto 1 -791 -611 24 78.4;"
orientationInfo.rotateZYZ="reset; rotate z -126.6; rotate y 78.3; rotate
z 128.8;"
orientationInfo.rotateXYZ="reset; rotate x -75.6; rotate y -35.7; rotate
z 30.2;"
RasMol>show selected group
should result in a select expression
Hmm. That's an interesting idea. How does it choose the "right" select
expression? But I see what you are
after -- so that you can save that and recall that particular selection.
This could be tricky....
e) Is it important to you that this mechanism be backward
compatible?
As long as the information is still accessible, no.
MORE SPECIFC QUESTION:
1. There are currently four callbacks:
animFrameCallback
loadStructCallback
pickCallback
select expression
messageCallback
moveto
select expression
distance/angle measurement data
got it.
Each of these fulfills an obvious need.
Should there be more "callback-like" options?
If so, what?
picking
ident|position|measure
done, I think.
status
orientation
center
structure
bound
selection
group|atom
not callbacks -- getProperty()
measure
distance|angle|torsion|phipsi
I like this idea for a getProperty(). Might take a little work.
Bob
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