> 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 ... until to mol2 reader implemented in Jmol. To be clear, Jmol does not consider a .pdb file to be *better* than any other file type. It is just another format. The core Jmol engine is purposely divorced from any particular file format and (at some level) supports a superset of capabilities of the individual file formats. >> The format looks very straightforward and very similar to other file >> formats. > > Yes the only main diff. is the presence of these charges Jmol already supports both formal charges and partial charges. Some file formats support one ... other file formats support the other. CML, for example, supports both. > and it would be great to display these charges in Jmol > as the three other labels... I do not know what you mean by 'three other labels' > The Tripos is not just 'another' format. It is a very > powerful format which becomes more and more used... :-) > OK, I can ask to a student to work on this... Good Miguel ------------------------------------------------------- This SF.Net email is sponsored by: Power Architecture Resource Center: Free content, downloads, discussions, and more. http://solutions.newsforge.com/ibmarch.tmpl _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
