Hey :)
Can't resist the challenge...
For any given ensemble, you can draw a trace through the C-alphas using the
following lines, illustrated here for the NMR ensemble '1NMR':
# Get the structure
fetch 1nmr
# Get the number of states
n = cmd.count_states('1nmr')
# Collect the C-alpha
Hi Jon,
You also have to update the three numbers before. So to go from white to
blue is
cmd.load_cgo([i for j in x for u,v,f in zip(j,j[1:],range(n)) for i in
[9.0]+u+v+[1.3, 1-(1.*f)/n,1-(1.*f)/n,1, 1-(1.+f)/n,1-(1.+f)/n,1
]],trace)
If you want to go from blue to white to red, it's
Hi All,
I have 2 different states of the same molecule..different conformations
generated from
MD, so the same number of Calpha atoms, with a direct 1:1 mapping between
Calphas
with the same residue numbering.
I would like to draw a bond between equivalent C-alpha atoms,
Hi Jon,
On Thu, 2012-12-13 16:09 EST, Jonathan Grimes jonat...@strubi.ox.ac.uk
wrote:
Hi All,
I have 2 different states of the same molecule..different
conformations generated from MD, so the same number of Calpha atoms, with
a direct 1:1 mapping between Calphas with the same
Hi,
(replying to my own message)
On Thu, 2012-12-13 15:52 EST, Robert Campbell
robert.campb...@queensu.ca wrote:
Hi Jon,
On Thu, 2012-12-13 16:09 EST, Jonathan Grimes jonat...@strubi.ox.ac.uk
wrote:
Hi All,
I have 2 different states of the same molecule..different
