Geoff wrote:please keep this compatible with single click and PickCallBack 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').
Recent postings have considered 'monitor' and possible alternatives to display measurements, bond and torsion angles etc
e.g. Miguel said
It seems that many people want to use 'monitor' to create artificialIt would be good if some version of 'set picking' could also be
bonds. The combination of 'monitor 1 2' and 'set monitor off'.
This is incompatible with the Jmol design. For example, measurements
are drawn 'above' the atoms so that they will remain visible, even if
the atoms are at 100% spacefill.
Therefore, I am probably going to implement a new command in Jmol
called 'measure'. Then 'monitor' can do whatever is necessary for
RasMol/Chime compatibility, and 'measure' can be used for measurements.
implemented with 'monitor' (or it's alternative) as this allows for
interactive measurements of bond lengths, angles torsions etc. This
assumes it's not already in Jmol and I've missed it!
Here is the story regarding 'measurements' in Jmol:
* the Jmol application has had 'measurements' for some time * distance, angle, and torsion angle have all been available * there was a terminology problem because 'torsion' was incorrectly identified as 'dihedral' .. a crystallographer pointed out the terminology 'bug' a few months ago * both the Jmol app and the JmolApplet have supported monitor 1 2 as well as monitor 1 2 3 monitor 1 2 3 4 * the JmolApplet has not had an interactive way for an end-user to make arbitrary measurements * the biggest problem has been figuring out mouse gestures and UI 'modes'
The RasMol 2.7.2.1 Manual says[snip]
-----------------------------------------------------------------------
Measuring Distances, Angles and Torsions: Interactive measurement of
distances, angles and torsions is achieved using the commands: 'set
picking distance', 'set picking monitor', 'set picking angle' and 'set
picking torsion', respectively.
In my opinion ...
* This is too complicated
* There are too many modes and too much state involved
* RasMol was not developed as a GUI application. Rather,
it was developed as a command-line tool.
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, and modification by shift = add to, and Ctrl = remove from selection, this is a very nice RasMol feature.
Especially in combination with show selected groups show selected atoms (MessageCallBack)
So ...I like the double click monitor commands very much, what I miss is the MessageCallBack from them.
* I have been struggling for some time to come up with
appropriate mouse gestures for measurements
* it is difficult because almost all the mouse gestures
are already taken
* (and the poor Mac users only have one button :-)
* this weekend I went ahead and did some work on this
* the code has been checked in to CVS
* it will be released within a week or two in 10pre7
* we will have to wait and see whether or not people like it
Regards, Jan
------------------------------------------------------- This SF.Net email is sponsored by: IBM Linux Tutorials Free Linux tutorial presented by Daniel Robbins, President and CEO of GenToo technologies. Learn everything from fundamentals to system administration.http://ads.osdn.com/?ad_id=1470&alloc_id=3638&op=click _______________________________________________ Jmol-users mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-users
