Hi all
I have to measure a distance between one atom in one molecule
(object) and second atom in many molecules (objects) - to do so
interactively there is no problem:
distance MODEL1//A/211/CA , ManyMODELS_*///100/CA.
How can I write a script that will help to get the list of the
distan
PyMOLers,
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PyMOL versions 1.2+. It's detailed, covers concepts, and has scripts
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> Message: 6
> Date: Sat, 11 Jul 2009 23:34:01 -0700
> From: Donnie Berkholz
> Subject: [PyMOL] Comparing B-factors of aligned residues
> To: pymol-users@lists.sourceforge.net
> Message-ID: <20090712063401.ga10...@comet>
> Content-Type: text/plain; charset=us-ascii
>
> Hi all,
>
> I'm trying to
On 10:11 Sun 12 Jul , Jason Vertrees wrote:
> Donnie Berkholz wrote:
> > I'm trying to compare the B-factors in two homologous proteins I
> > aligned using 'super'. I can create an alignment object mapping
> > residue pairs together, so I think what I want to do should be
> > possible. I'd l
Donnie,
Please try:
load $TUT/1hpv.pdb
extract chA, chain A
extract chB, chain B
# assign some B values onto chA
from random import random
alter chACA, b=random()
# show for later comparison...
iterate chA///1-10/CA, chain,resi,b
# generate an alignment
align chACA, chBCA, o
On 15:51 Sun 12 Jul , Warren DeLano wrote:
> Donnie,
>
> Please try:
>
>
> load $TUT/1hpv.pdb
>
> extract chA, chain A
>
> extract chB, chain B
>
> # assign some B values onto chA
>
> from random import random
>
> alter chACA, b=random()
>
> # show for later comparison...
>
> iter
