On Thu, October 6, 2005 11:33 am, Miguel said:
> This is a good task for a novice who wants to contribute. It is a
> self-contained, well-defined task that would provide the opportunity to
> gain some experience with Java, CVS, open source development, and Jmol.
>
> Some possible ideas:
>
> * Fran
> We could also imagine to generate pseudo .pdb i.e .pqr
> file from Tripos files using some perl scripts and
> display the charges added in this new .pqr file in
> Jmol as an atom name or chemical element or atom number.
You could convert to .pdb (or any other supported format) as an interim
step
Quoting Miguel <[EMAIL PROTECTED]>:
> > Is there a way to display the Tripos file format (.mol2) with the atom
> > names &
> > atomic charges available in those files using Jmol...
> > My understanding is that it is not implemented.
>
> That is correct.
> There is currently no support for this fil
> Dear All,
>
> I am a new Jmol user.
>
> Is there a way to display the Tripos file format (.mol2) with the atom
> names &
> atomic charges available in those files using Jmol...
> My understanding is that it is not implemented.
That is correct.
There is currently no support for this file format
Just in case it clarifies ideas:
- atom (or element, if available) names and charges are indeed
recognized by Jmol in .pdb files.
- at least charges are also recognized in .mol files (MDL).
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> On Wednesday 05 October 2005 23:40, Miguel wrote:
>> Perhaps someone with more Swing experience could help answer this
>> question.
>
> http://java.sun.com/docs/books/tutorial/extra/fullscreen/
I may be mistaken, but I don't think that this mode is appropriate.
This is 'full screen exclusive m
We await your implementation :-)PhilOn Oct 6, 2005, at 6:55 AM, Bob Hanson wrote:This is going to sound totally off topic, but bear me out.Has anyone gotten into Sudoku? http://en.wikipedia.org/wiki/SudokuI've just realized that Jmol is the perfect application fordemonstrating the fundamental set-b
Dear All,
I am a new Jmol user.
Is there a way to display the Tripos file format (.mol2) with the atom names &
atomic charges available in those files using Jmol...
My understanding is that it is not implemented. I guess if it is possible to
display the atom names of PDB files, it should be possi
This is going to sound totally off topic, but bear me out.
Has anyone gotten into Sudoku? http://en.wikipedia.org/wiki/Sudoku
I've just realized that Jmol is the perfect application for
demonstrating the fundamental set-based mathematics of Sudoku.
The idea is to solve the Sudoku VISUALLY -- no
> The magical incantation you seek is as follows:
Thank you both for all the help. Is this list always so entertaining?
For the sake of google. Here is a python script that writes a
temporary jmol script and invokes jmol.
#!/usr/bin/python
import os
import sys
datafile = sys.argv[1]
scriptfile
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