-----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
