Thanks Otis, THIS WHAT I NEEDED! CIAO
----- Original Message ----- From: "Otis Rothenberger" <osrot...@icloud.com> To: jmol-users@lists.sourceforge.net Sent: Tuesday, June 7, 2016 6:39:45 PM Subject: Re: [Jmol-users] individual atom color Oops... This is the more complete version of that color link: http://jmol.sourceforge.net/jscolors/ Otis -- Otis Rothenberger o...@chemagic.org http://chemagic.org > On Jun 7, 2016, at 8:58 AM, Otis Rothenberger <osrot...@icloud.com> wrote: > > Km, > > Providing that Jmol is reading those partial charges, you can use the > following script: > > color {*} partialCharge > > If Jmol does not read the charges in an XYZ, MMFF94 charges can be > calculated. The script becomes; > > calculate partialCharge; color {*} partialCharge > > With the above, I think you are limited the red-white-blue color gradient. > > If you want to assign your own colors by hand, then in a XYZ file you can add > a script line to the unused second line of the XYZ file: > > jmolscript: select {atomno = 1}; color red; select {atomno = 2}; color pink; > etc > > The jmolscript: above is part of this second line. > > Here is a useful Jmol color chart: > > http://www.biorom.uma.es/contenido/biomodel/Jmol/colors/jmol_colors.en.htm > > Otis > > -- > Otis Rothenberger > o...@chemagic.org > http://chemagic.org > >> On Jun 7, 2016, at 5:39 AM, Krishna Mohan <krishna.mo...@mbcet.ac.in> wrote: >> >> Dear list >> >> In order to color different partial charges for each and every atoms in a >> XYZ file (, as shown in the below format) >> >> . . . >> atom x y z <partial charges> >> . . . >> >> I would like to know, how a jmol script can be written to assign a >> particular color for Each atom ? >> I.e., suppose if I have 2 atoms, how can I assign the color for, >> >> h 1.0000 1.00000 1.00000 [[48,80,248] or 3050F8] >> h 0.0000 0.00000 0.00000 [[80,208,80] or 50D050] >> >> etc., so that One can see the variation of partial charges for individual >> atoms. >> >> Hope someone can help >> >> thanks in advance >> >> Km >> >> >> >> >> >> >> ------------------------------------------------------------------------------ >> What NetFlow Analyzer can do for you? Monitors network bandwidth and traffic >> patterns at an interface-level. Reveals which users, apps, and protocols are >> consuming the most bandwidth. Provides multi-vendor support for NetFlow, >> J-Flow, sFlow and other flows. Make informed decisions using capacity >> planning reports. https://ad.doubleclick.net/ddm/clk/305295220;132659582;e >> _______________________________________________ >> Jmol-users mailing list >> Jmol-users@lists.sourceforge.net >> https://lists.sourceforge.net/lists/listinfo/jmol-users > > > ------------------------------------------------------------------------------ > What NetFlow Analyzer can do for you? Monitors network bandwidth and traffic > patterns at an interface-level. Reveals which users, apps, and protocols are > consuming the most bandwidth. Provides multi-vendor support for NetFlow, > J-Flow, sFlow and other flows. Make informed decisions using capacity > planning reports. https://ad.doubleclick.net/ddm/clk/305295220;132659582;e > _______________________________________________ > Jmol-users mailing list > Jmol-users@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/jmol-users ------------------------------------------------------------------------------ What NetFlow Analyzer can do for you? Monitors network bandwidth and traffic patterns at an interface-level. Reveals which users, apps, and protocols are consuming the most bandwidth. Provides multi-vendor support for NetFlow, J-Flow, sFlow and other flows. Make informed decisions using capacity planning reports. https://ad.doubleclick.net/ddm/clk/305295220;132659582;e _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users ------------------------------------------------------------------------------ What NetFlow Analyzer can do for you? Monitors network bandwidth and traffic patterns at an interface-level. Reveals which users, apps, and protocols are consuming the most bandwidth. Provides multi-vendor support for NetFlow, J-Flow, sFlow and other flows. Make informed decisions using capacity planning reports. https://ad.doubleclick.net/ddm/clk/305295220;132659582;e _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
