There differences in the RasMol and OpenBabel coloring schemes.
Not sure what the mechanism should be to try to resolve the differences ...
It seems to me that the differences fall into three groups.
undisputed inorganic atoms:
are 'hot pink' in the RasMol scheme
are essentially 'unassigned' in the RasMol scheme
important organic atoms:
the RasMol/Chime folks feel *strongly* about H, C, N, O, P, & S
there is existing courseware that makes use of these colors
even the color shade is important
there are shade differences + Phosphorus is very different
see below *
metals/others:
there are a couple of dozen others elements that were
assigned colors in RasMol
RasMol scheme has duplicates - I want to eliminate these
there are a few cases of agreement (chlorine)
most are quite different
-------------
* The important organic atoms:
H - same, white, 0xFFFFFF
C - different shades of grey
RasMol is lighter grey 0xC8C8C8
OpenBabel is middle grey 0x808080
N - different shades of blue
RasMol is lighter blue (0x8F8FFF)
OpenBabel is almost pure blue (0x0D0DFF)
O - essentially the same red
RasMol is pure red 0xFF0000
OpenBabel is slightly lightened 0xFF0D0D
P - very different
RasMol is orange 0xFFA500
OpenBabel is dark red 0x800000
S - different
RasMol is gold 0xFFC832
Sulfur is yellow 0xFFFF30
Miguel
-------------------------------------------------------
The SF.Net email is sponsored by EclipseCon 2004
Premiere Conference on Open Tools Development and Integration
See the breadth of Eclipse activity. February 3-5 in Anaheim, CA.
http://www.eclipsecon.org/osdn
_______________________________________________
Jmol-developers mailing list
[EMAIL PROTECTED]
https://lists.sourceforge.net/lists/listinfo/jmol-developers
