RE: [Jmol-users] implementing simultaneous molecules

2005-06-23 Thread Anders Poulsen
To display docking results with a protein PDB-file and a SD-file with poses, you dont need independent rotation and translation. The centering should be the same for both molecules. I.e. if (10,20,30) is the center of mass for the first molecule, then (10,20,30) should be deducted from the coord

Re: [Jmol-users] Jmol default colors?

2005-06-23 Thread Nicolas Vervelle
Hi, I have opened a tracker item a few weeks ago about adding Jmol default colors in the colors page. But I don't think one existed before, I browsed through the cvs repository and saw nothing. If there was one before, and someone remembers, I am interested to use it as a base for the colors p

[Jmol-users] Jmol default colors?

2005-06-23 Thread Phillip Barak
I _know_ there was a page of Jmol default colors at http://jmol.sf.net/colors but no more. (And the 'colors' link at the jmol site links to javascript colors, http://jmol.sourceforge.net/jscolors/) Any one help with a pointer? --Phil --- SF.N

RE: [Jmol-users] strange internet explorer behavior

2005-06-23 Thread Samuel Flores
Hi Miguel, It's finally all working fine. http://dev.molmovdb.org/cgi-bin/jmol.cgi?mid_=va1a1tA-1f6uA I guess the lesson learned is to execute mysql queries before loading the jmol viewer. It's still a little hack-ish, but it works. Thanks for your help. Sam -Original Message- From

Re: [Jmol-users] implementing simultaneous molecules

2005-06-23 Thread timothy driscoll
On 2005-06-23 (11:09) Miguel wrote: >If we need independent rotation and translation then we can probably >terminate the discussion ... it is a *lot* of work and will not >happen in 2005. > ok, terminating discussion ;-). it is the independent rotation and translation that really adds the func

Re: [Jmol-users] implementing simultaneous molecules

2005-06-23 Thread Miguel
>>> Q: What scaling factor would you expect to be applied? >>> >>the same 1A = 1A >> > I agree with Jan. Certainly 1A is always 1A. The question is ... how many pixels per angstrom? Q: If I load a large molecule followed by a small one, does the small one just 'fit in' without changing the scali

Re: [Jmol-users] implementing simultaneous molecules

2005-06-23 Thread Bob Hanson
Regarding centering ... The first model gets centered on the screen. Q: I assume that you do not want the second model centered on the screen ... please confirm. If not, and if it is necessary to manipulate each model independently, then it is a *lot* of work. That would almost certa

Re: [Jmol-users] implementing simultaneous molecules

2005-06-23 Thread timothy driscoll
On 2005-06-23 (07:59) Jan Reichert wrote: >Miguel wrote: >>> Is it possible to load a pdb file with a protein and a mol file >>> simultaneous. If so how do you do that? >> >> Per Egon's message, this is not currently possible. >> >> If you try to load several models several questions get raised: >