I am testing the new 11.1.30 with PQR file (made with pdb2pqr)
The file loads Ok, now I want to color atoms by partial charge.
I'm following clues from 2 former messages by Bob: how to color by
occupancy, using a custom-defined property, and a mention of
properties read from pqr files ("radius is property vanderwaals,
charge is property partialcharge").
So I have tried these two methods:
1)
propertyColorScheme = "rwb"
color partialcharge
2)
x = {*}.partialcharge.all
propertyColorScheme = "rwb"
data "property_ch @x"
color atoms property_ch
And I get similar but different tints of color. Since this is a
protein, I cannot check beforehand which is the correct way of
reading charge data.
Help?
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