Re: [Jmol-users] Tripos format

[Miguel <mi...@jm...>]

> 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.

> I guess if it is possible
> to
> display the atom names of PDB files, it should be possible to apply the=

> same
> strategy for the .mol2 format and its charges...

Jmol currently supports over 20 file formats. Adding new formats is
relatively straightforward.

** 2 minutes later **

I googled for 'tripos mol2' ... the first link is documentation for the
trips mol2 file format

http://www.tripos.com/index.php?family=3Dmodules,SimplePage,,,&page=3Dsup=
_mol2&s=3D0


The format looks very straightforward and very similar to other file form=
ats.

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:

 * Francois ... you or one of your associates
 * encourage Tripos to put a developer on it for a short time
 * a student
    - a bio/chem informatics graduate student
    - a computer science undergrad student
 * someone on the list who wants to learn


Any of the above options will be more time-consuming for me than just
doing it myself, but I really want to grow some new Jmol developers and
get other people *invested* in Jmol.


Miguel



Miguel