From: "Bob Hanson" <[EMAIL PROTECTED]> > Nicolas, I was wondering if when you say coding you are saying for your > particular local version of Jmol (with that custom filetype) or with submission > to the Jmol open source project.
I was meaning submission to the project with new Java source code so that the function is available with the official Jmol release ;) And I would like to do it in a "file format independent way", just using the atoms symbols and the bonds informations, so that anyone else can use this function. > Also, I was wondering, if you set up this file format yourself, why did you not > just use the standard mol format, which has exactly the same information? It > seem to me the mol format is just your format with the 2-5 columns pulled out > and up front. Pretty much. Right? Couldn't you still just write a little thing > that changes that format? Why the special format? I didn't create this file format, this is the format used by the FoldingAtHome project (http://folding.stanford.edu) which is a distributed computing project aimed at a better understanding of protein folding and misfolding, maybe to help find a cure for some diseases. (Anyone can participate in this project by downloading a small application and running it as a background task on your computer). Currently, there are about 190.000 computers participating in this project. The file format is coming from Tinker (http://dasher.wustl.edu/tinker/), one of the cores used by FAH. Cores are the part of the project that do the actual computations of molecular dynamics. I would gladly use an other file format with a lot more infos in it, but as you can understand I have no choice. Nicolas ------------------------------------------------------- SF email is sponsored by - The IT Product Guide Read honest & candid reviews on hundreds of IT Products from real users. Discover which products truly live up to the hype. Start reading now. http://ads.osdn.com/?ad_id=6595&alloc_id=14396&op=click _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
