Feature Requests item #1036203, was opened at 2004-09-28 23:33
Message generated for change (Comment added) made by wkpark
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Category: None
Group: None
Status: Open
Priority: 5
Submitted By: Nobody/Anonymous (nobody)
Assigned to: Nobody/Anonymous (nobody)
Summary: editor feature

Initial Comment:
Hello,

I use made some modification to the DisMol.

DisMol basically based on the NanoCAD and It has a
editor feature but Dismol disable this feature, so I
apply some modification to enable editting feature.

http://chemie.skku.ac.kr/wiki/dismol2.html
(press "Get XYZ" to retrive applet's molecular,
press "Use XYZ" to load molecular from TextArea)

recently, I have noticed that the JmolApplet have new
3D rendering engine like the DisMol or RasMol. It is
faster than the DisMol and I love it :)

How about to add some utility function like
"loadMolecular()" or other equivalent function to
retrive applet's molecular to some textarea form or
etc. (there is some utility functions for javascript
like "loadInline()" etc.)

Regards,

Won-kyu Park

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Comment By: Won Kyu Park (wkpark)
Date: 2005-07-02 14:54

Message:
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user_id=76597

I made a flash movie how dismol(modified version) can edit
molecules

http://chemie.skku.ac.kr/~wkpark/demos/edit.html



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Comment By: Won Kyu Park (wkpark)
Date: 2004-10-06 00:23

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> I have a question ... How does DisMol decide what the new Z 
> coordinate value should be? 

> Does the z coordinate value stay the same while you move an 
> atom?

Yes. In the mousePressed() it calls selectedAtom() and save
it as atom1
-----
double[] scrPos = { x, y, 0 };
atom1 = grp.selectedAtom (scrPos);
-----

and in the mouseDragged() 
-----
double[] scrPos = { x, y, atom1z };
atom.pos = grp.view.screenToXyz (scrPos);
-----


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Comment By: Miguel (migueljmol)
Date: 2004-10-05 03:58

Message:
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This function does not currently exist in the TransformManager. 

I have a question ... How does DisMol decide what the new Z coordinate 
value should be? 

Does the z coordinate value stay the same while you move an atom? 


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Comment By: Won Kyu Park (wkpark)
Date: 2004-10-05 01:50

Message:
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Is there any inverse transform routine in the
transformManager(?)
like screenToXyz() used by the dismol ?

I want to patch the mousemanager to modify the position of atoms

please see
 http://chemie.skku.ac.kr/wiki/dismol2.html
 http://chemie.skku.ac.kr/wiki/zmat.html

I want to replace my modified dismol applet with the jmol

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Comment By: Miguel (migueljmol)
Date: 2004-09-30 03:43

Message:
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user_id=1050060

Look at the source code for 
http://www.jmol.org/demo/jssample2/

It shows some models being loaded inline



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Comment By: Won Kyu Park (wkpark)
Date: 2004-09-29 23:17

Message:
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Hello

I add some simple function to JmolApplet and it works.

http://chemie.skku.ac.kr/wiki/jmol.html

-----
  public String getXYZFile() {
    int count = viewer.getAtomCount();
    int i;
    String n,mol;
    float x,y,z;

    mol = count + "\ngenerated from JmolApplet\n";
    for (i=0; i<count; i++) {
      n=viewer.getElementSymbol(i);
      x=viewer.getAtomX(i);
      y=viewer.getAtomY(i);
      z=viewer.getAtomZ(i);
      mol += n + " " + x + " " + y + " " + z + "\n";
    }
    return mol;
  }
----
Is there any printf like function in the JmolApplet ?

Regards,

Won-kyu Park


----------------------------------------------------------------------

You can respond by visiting: 
https://sourceforge.net/tracker/?func=detail&atid=379136&aid=1036203&group_id=23629


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