Thanks, Bob, for specific suggestions for using the H-bond data in our database to display sidechain mainchain H-bonds in motifs. I'll have to consider the best way to proceed within the constraints of our setup.
As a general comment, however, I would say that I appreciate that Jmol is in a different phase at the moment from what it was when Miguel was doing most of the work. At that time the emphasis was to reproduce the RasMol/Chime capabilities, which were especially directed towards representing proteins. Miguel did an incredible job, to the extent that Chime can now be considered to have been replaced completely by Jmol. However, given that one of the features of Rasmol introduced in Jmol is the automatic calculation of mainchain-mainchain H-bonds, which is obviously of interest to some protein chemist, if it had been possible to introduce mainchain-sidechain calculations this would have been of similar benefit. It may be worth bearing in mind, should the wheel ever turn again and the protein features are ever subject to reexamination. Clearly, at the moment the emphasis - and interest of the people that are doing the work - is in other areas which will extend the usefulness of Jmol to a larger section of the scientific community. I appreciate that and am grateful for it. David -- _______________________________________________________________ David P.Leader, Biochemistry and Molecular Biology Davidson Building, University of Glasgow, Glasgow G12 8QQ, UK Phone: +44 41 330-5905 http://doolittle.ibls.gla.ac.uk/leader _______________________________________________________________ ------------------------------------------------------------------------- This SF.net email is sponsored by DB2 Express Download DB2 Express C - the FREE version of DB2 express and take control of your XML. No limits. Just data. Click to get it now. http://sourceforge.net/powerbar/db2/ _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
