> 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=modules,SimplePage,,,&page=sup_mol2&s=0 The format looks very straightforward and very similar to other file formats. 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 ------------------------------------------------------- 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 [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
