-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 Hi, does Jmol support pseudo atoms in an SD file? For example, if an atom is marked R, will Jmol handle it specially?
The reason I ask is that I have standalone pharmacophore matching code and it outputs 'annotated' hits. That is, matching pharmacophore groups are represented as extra Xe atoms in the output SD file. This allows me to load the SD file into Jmol and evaluate distances exactly etc. It's quite crude since all pharmacophore groups are the same color and size - but it's a quick way to look at things. So am I restricted to using Xe (or some other element) to indicate pseudo-atoms? Or does Jmol support some form of pseudo atom specifically (for SD format)? Thanks, - ------------------------------------------------------------------- Rajarshi Guha <[EMAIL PROTECTED]> GPG Fingerprint: D070 5427 CC5B 7938 929C DD13 66A1 922C 51E7 9E84 - ------------------------------------------------------------------- My Ethicator machine must have had a built-in moral compromise spectral phantasmatron! I'm a genius." -Calvin -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.8 (Darwin) iEYEARECAAYFAkgzW6UACgkQZqGSLFHnnoT5ywCgkraZhWSIemt+1yXwYz2keauC LEUAoNaBWc+3pwv2BGmdaxKOktLdYBZV =7v0L -----END PGP SIGNATURE----- ------------------------------------------------------------------------- This SF.net email is sponsored by: Microsoft Defy all challenges. Microsoft(R) Visual Studio 2008. http://clk.atdmt.com/MRT/go/vse0120000070mrt/direct/01/ _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users