Jan wrote:
please keep this compatible with single click and PickCallBack* RasMol was not developed as a GUI application. Rather, it was developed as a command-line tool.
Single click should now call the PickCallBack
OK, set picking ident is the default.
and give
a MessageCallBack which could be checked by a script (think about the
reverse cyclohexan tutorial e.g. 'show me what is trans to Br').
I do not understand what you mean. What type of MessageCallBack do you want?
like in RasMol, if I said: set picking distance Atom #1: [ARG]97:E.NH2 (1062) Atom #2: [ARG]173:E.NH2 (1722) Distance [ARG]97:E.NH2 - [ARG]173:E.NH2 = 19.211
and according for set picking angle set picking torsion set picking coord
to get a console echo of what is picked (and the same is true for your double click) is important, it is sometimes difficult to decide what atom is double click - e.g. with cpk rendering).
I used this often, and toggle between atom and group.
what should be added to Jmol are the RasMol and Chime commands
set picking atom
set picking group
set picking chain
which allow the single click selection toggle on the bases of atom,
group and chain selection,
In general, I do not like the idea of a picking *mode* which changes the
behavior of the selection mechanism based upon a script command.
I am thinking about mouse gestures which would allow one to make theseadditionally, chime used the right click menu
types of selections at any time.
What is the Mac toggle clicked and add to already selected?
and modification by shift = add to, and Ctrl
= remove from selection, this is a very nice RasMol feature.
Shift + Left Click will be used for something related to selections.
We cannot use CTRL Left Click because it conflicts with MacOSX
like
Especially in combination with
show selected groups
show selected atoms
(MessageCallBack)
What should this MessageCallBack look like?
set picking ident
+ a selected or unselect
message would be OK because
show selected groups
show selected atoms
with every event would be a bit long. RasMol reports the number of selected atoms which is not very informative.
The user wants to know whether he has clicked the right atom and in a tutorial this could trigger events, eg. explain something about H-Bonds if the user made an H-Bond measurement.
I like the double click monitor commands very much, what I miss is the
MessageCallBack from them.
Note that the double-click behavior may *change* ... once I understand the mouse selections and other mouse gestures that need to be made.
Why do you want to know that the user has made a measurement?
And it seems simple to me to implement some feedback.
What I really want to see implemented is the
monitor ace301C.ch3 ace301D.ch3
and get a message out of this.
But neither the abstract atom notation is supported in RasMol nor the parsable MessageCallBack from this.
I believe that it is very difficult for you to keep track of everything that the user does ... in English we would say *fighting a losing battle*
not everything and often I am the user and know what I'll want to record :-) Regards, Jan
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