Here is the solution. Wonder if someone can help explain why the line below
gives an error about print is not defined:
out=x.cmd.do("iterate mysel and name CA, print(resi)")
Thanks!
import pymol2
x=pymol2.PyMOL()
x.start()
x.cmd.do("fetch 1crn; select mysel, /1crn//A/10-20")
out=[]
def f(ch
Hi,
In the example code below, there is a selection object "myself" within PyMOL, I
try to obtain the selected residues within Python.
The "out=x.cmd.do" prints the selection to stdout, but the variable out remains
None. What would be a good way to get the selection without going through disk
I
int_set.add((chain, resi, resn))', space=myspace)
# Map them to a new selection onto the prediction
pred_interface
= 'int_pred'
cmd.select(pred_interface,
'none')
for
chain, resi,
resn in
myspace['int_set']:
new_chain
= base_to_pred_chains[chain]
# Add eac
I am a relatively new PyMOL user and would like to get some helps from the
community.
I have two structures for the same antibody-antigen complex (with three chains:
light chain L, heavy chain H, and an antigen chain A) .
Structure "base" is the experimental true structure, structure "pred" is t
