Bugs item #974437, was opened at 2004-06-17 04:56 Message generated for change (Comment added) made by migueljmol You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379133&aid=974437&group_id=23629
>Category: Algorithms Group: None Status: Open Resolution: None Priority: 5 Submitted By: Nobody/Anonymous (nobody) >Assigned to: Miguel (migueljmol) Summary: cpk temperature Initial Comment: cpk temperature does not relate well to Rasmol. A comparison using 1a3n shows Jmol giving a cpk temperature radius far too large--at least in comparison to Rasmol 2.6. Bob Hanson ---------------------------------------------------------------------- >Comment By: Miguel (migueljmol) Date: 2004-06-17 10:40 Message: Logged In: YES user_id=1050060 Q: Should we use the term 'temperature' for RasMol compatibility and the term 'bfactor' for mean positional displacement? ---------------------------------------------------------------------- Comment By: JR (interessent) Date: 2004-06-17 09:38 Message: Logged In: YES user_id=908382 this is a feature, not a bug. RasMol scales relative to a maximum while Jmol should approximate the mean positional displacement sqrt(B / 79) In 1a3n B is e.g. several thousand sqrt(3000/79)= 6 A but RasMol only scales them to a maximum of ~3 A ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379133&aid=974437&group_id=23629 ------------------------------------------------------- This SF.Net email is sponsored by The 2004 JavaOne(SM) Conference Learn from the experts at JavaOne(SM), Sun's Worldwide Java Developer Conference, June 28 - July 1 at the Moscone Center in San Francisco, CA REGISTER AND SAVE! http://java.sun.com/javaone/sf Priority Code NWMGYKND _______________________________________________ Jmol-developers mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-developers
