Hi James,
> select resn LYS and n. CA
> dist (sele), (sele)
>
> Aside: this doesn't work for me as `dist sele, sele`. Anyone know why?
> Is that a bug or a feature?
It's a feature. Both the "select" and the "distance" command actually
take as first argument the name of the object which they will
James,
If the CA position is acceptable as the residue coordinate (as assumed in
Jason's answer), then you don't need to bother with pseudoatoms. Here's the
easiest way to display all the distances for a figure:
select resn LYS and n. CA
dist (sele), (sele)
Aside: this doesn't work for me as `di
Hi James,
It could look something like this:
# for_rutley.py
# fetch a protein
cmd.fetch("1rx1", async=0)
# make a blank list
l=[]
# iterate over all lysine's alpha carbons
cmd.iterate_state(1, "n. CA and resn lys", "l.append((x,y,z))")
# set a counter to 0 for controlling unique names
p=0
#
-- Forwarded message --
From: James Rutley
Date: 22 August 2013 14:50
Subject: Script writing
To: pymol-users@lists.sourceforge.net
Hi,
I am new to Pymol and programming. What's the best way to approach creating
a script that does the following:
[image: Inline images 3]
Thanks
