[Jmol-developers] Displaying Multiple Structures and Manipulating Coordinates
Dear JMol Developers, I'm emailing to ask a few questions about JMol. From what I've found on your emailing archives, it seems like it is possible to load multiple structures at once, but how exactly would one do that using the frame commands? In addition, I was wondering if it was possible in JMol to manipulate a structure's coordinates and then save those coordinates. Many thanks, Sam -- ___ Jmol-developers mailing list Jmol-developers@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-developers
Re: [Jmol-developers] Displaying Multiple Structures and Manipulating Coordinates
Hello Sam, and welcome (This rather belongs into jmol-users list) > I'm emailing to ask a few questions about JMol. From what I've > found on your emailing archives, it seems like it is possible to load > multiple structures at once, but how exactly would one do that using the > frame commands? You use the "load" command. The "frame" command controls display of one or another, later on. in brief, load files "file1.pdb" "file2.pdb" for details, see http://chemapps.stolaf.edu/jmol/docs/#loadfiles > In addition, I was wondering if it was possible in JMol > to manipulate a structure's coordinates and then save those coordinates. Yes, it is possible. There are a few ways to move atoms, like "rotateSelected" and "translateSelected" They can also be moved with the mouse, after activating the proper mode (see the "picking" command and more). Then, you use the "write coords" command Everything at http://chemapps.stolaf.edu/jmol/docs though it takes some time to master those issues Good luck! -- ___ Jmol-developers mailing list Jmol-developers@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-developers
Re: [Jmol-developers] DOCUMENTATION AnimFrameCallback
Actually, it was a bug in JSmol in not delivering all the parameters. In
fact, there are eleven parameters, including
data = new Object[] { htmlName,
Integer.valueOf(Math.max(frameNo, -2 - frameNo)),
Integer.valueOf(fileNo), Integer.valueOf(modelNo),
Integer.valueOf(Math.abs(firstNo)),
Integer.valueOf(Math.abs(lastNo)),
Integer.valueOf(isAnimationRunning ? 1 : 0),
Integer.valueOf(animationDirection),
Integer.valueOf(currentDirection),
data[2]/*entryName*/, data[3]/*morphModel*/
"entryName" is the name that is at the top of the window in the Jmol applet.
"morphModel" is a floating point number that might show some intermediate
value
between two frames, indicating the fractional point between the two actual
frames that the morph is calculated from.
On Wed, Jun 17, 2015 at 4:56 AM, Angel Herráez wrote:
> Dear Bob,
>
> http://chemapps.stolaf.edu/jmol/docs/#setcallback
> set AnimFrameCallback
> says 9 parameters are returned. I only see 8; I think that maybe
> "isAnimationRunning" and "animationDirection" are merged into one?
>
> 14.2.14_2015.06.11
>
> Regards,
> Angel
>
>
>
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Robert M. Hanson
Larson-Anderson Professor of Chemistry
Chair, Department of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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