Hi Martin,
I think that Pymol indeed assumes PDB formatting, where the b-factor
and occupancy fields are float format %6.2f, whereas the PQR format
often uses %8.3f formatting in stead. That will make both approaches
fail. You'll have to do some scripting to get it right:
You can try the followin
Hi Martin,
You can use b and q as selection keywords (help selections):
color red, b < 0
color blue, b > 0
Or you can use 'spectrum' (help spectrum):
spectrum b, red_white_blue
Hope it helps,
Tsjerk
On Oct 13, 2011 12:58 AM, "Martin Hediger" wrote:
Dear List
I have the below model of three
Dear List
I have the below model of three charged atoms (as a PQR file).
ATOM 1C ASP A 0.0 0.010.0 -2.0 4.0
ATOM 2C ASP A 0.0 0.0 0.0 -2.0 4.0
ATOM 3C ASP A 0.0 0.0 -10.02.0 4.0
The last two numbe
