Angel Herraez wrote: > Hi all. > (I was about to raise this as a feature request, but thought better to > ask for discussion. If nobody is using it, it's worthless to worry.) > > To color atoms by charge, Jmol has "color frmalCharge" and "color > partialCharge". > "color charge" has been made synonym with "color formalCharge". > > However, this will contradict behaviour expected by Rasmol/Chime > users. In these, "color charge" (the only option available) colors by > partial charge (interpreted from the B-factor or temperature column in > modified PDB files). > > Therefore, to avoid confusion I would propose that "color charge" be > abandoned in Jmol, i.e., does nothing or raises a syntax error. > > - Leaving charge=formalCharge as now, it will break intended behaviour > on scripts inherited from Rasmol. > > - Changing to charge=partialCharge will break existing Jmol scripts. > > Even if no action is taken at coding level, I think it important to > avoid completely the use of "color charge" in Jmol scripts, examples etc.
Let's certainly do that. I'll fix the interactive documentation right now. The mechanism we have for this sort of thing is a "Chime note" in the documentation. I would prefer to just do that. At least for now. > > >------------------------------------------------------------------------ > >------------------------------------------------------------------------- >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 > > ------------------------------------------------------------------------- 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
