I just showed some of the capabilities of Jmol in group meeting for the group where I'm doing my sabbatical. There was a lot of interest in the features of Jmol, so I have a couple of questions. The first one is whether it would be possible for Jmol to calculate and display volumes of the cavities inside of proteins? This question came up when I was showing the AChE tutorial built using JTAT, which shows the cavities in different forms of the enzyme. I'm guessing that the cavity surfaces were calculated in some other software and then passed on to Jmol like some of the other surfaces. If it's not already possible to do this, would it be difficult to implement?
Question number 2. I've made several animations with small molecules by concatenating the xyz files. Is it possible to do the same thing with proteins and their pdb files? Or do the different pdb files need to be packaged into one file as separate models? Would it be possible to do an animation like this with 100 pdb files? I'm an organic chemist rather than a biochemist, so I must admit I'm uneducated about what's possible to accomplish with the larger files and with the different format. -Jennifer Jennifer Muzyka Professor of Chemistry On sabbatical at University of Kentucky College of Pharmacy Centre College Danville, KY 40422 [EMAIL PROTECTED] http://web.centre.edu/muzyka ------------------------------------------------------------------------- This SF.Net email is sponsored by the Moblin Your Move Developer's challenge Build the coolest Linux based applications with Moblin SDK & win great prizes Grand prize is a trip for two to an Open Source event anywhere in the world http://moblin-contest.org/redirect.php?banner_id=100&url=/ _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
