On Mar 19, 2007, at 6:19 PM, Bob Hanson wrote: > > http://www.stolaf.edu/academics/chemapps/jmol/docs/misc/3dfr-a.jpg > http://www.stolaf.edu/academics/chemapps/jmol/docs/misc/3dfr-b.jpg > are you kidding me? this is absolutely gorgeous. I am about 10% of the way through trying to force Surfnet to give me something similar. so to hell with that! :-)
your explanation is precisely correct: we want a surface around the cavity spheres (or points). this is fantastic. ok, so now my questions are: 1. can I play with this in Jmol, and what is the syntax? 2. can the min cavity sphere radius and envelope radius be parameterized? 3. can we 'save' a cavity surface? (if so, we can talk about data format.) 4. can we map characteristics from the surrounding atoms onto the cavity surface? for example, electrostatics? wow. most excellent. you have just rendered moot my weekend of work with fortran compiling and data file re-formatting. but in a very good way. tim -- Timothy Driscoll em: [EMAIL PROTECTED] Virginia Bioinformatics Institute ph: 540-231-3007 Bioinformatics I: M-1 im: molvisions Washington St., Blacksburg, VA 24061 ------------------------------------------------------------------------- Take Surveys. Earn Cash. Influence the Future of IT Join SourceForge.net's Techsay panel and you'll get the chance to share your opinions on IT & business topics through brief surveys-and earn cash http://www.techsay.com/default.php?page=join.php&p=sourceforge&CID=DEVDEV _______________________________________________ Jmol-developers mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-developers
