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A python-based scripting language to visualise 3-D structures, especially of proteins.
1
vote
1
answer
72
views
Modify how a script prints the output?
I'm trying to print out all measured distances between a ligand and 2 residues (using PyMol), below is the script that I'm using. … I only want to measure the distances between all the ligand's O & ND2 of N312, as well as all the ligand's N & OD2 of D113.
from pymol import stored
stored.a, stored.b, stored.c, stored.d = [],[],[],[] …
1
vote
1
answer
111
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Multiple input & output files?
I'm using python3 & I'm trying to do this via Linux CLI.
from pymol import stored
stored.a, stored.b, stored.c, stored.d = [],[],[],[]
cmd.iterate_state(1, "r55_01///UNL`1/N*", "stored.a.append(ID)")
cmd.iterate_state …