******************************************************************************
Gino Cingolani, Ph.D.
Associate Professor
Thomas Jefferson University
Dept. of Biochemistry & Molecular Biology
233 South 10th Street - Room 826
Philadelphia PA 19107
Office (215) 503 4573
Lab (215) 503 4595
Fax (215) 923 2117
E-mail: gino.cingolani@jefferson.edu
Website: http://www.cingolanilab.org
******************************************************************************
"Nati non foste per viver come bruti, ma per seguir virtute e canoscenza"
("You were not born to live like brutes, but to follow virtue and knowledge") Dante,
The Divine Comedy (Inferno, XXVI, vv. 119-120)
From: phenixbb-bounces@phenix-online.org [phenixbb-bounces@phenix-online.org] on behalf of Pavel Afonine [pafonine@lbl.gov]
Sent: Thursday, July 12, 2012 12:42 PM
To: PHENIX user mailing list
Subject: Re: [phenixbb] segmented rigid body refinement
Hi Gino,
you could use phenix.find_tls_groups but the tool requires meaningfully refined B-factors and more or less good geometry so the secondary structure can be identified automatically. If this is your case then phenix.find_tls_groups might work for you.
Pavel
On 7/12/12 9:33 AM, Gino Cingolani wrote:
The latter....something more analytical to split individual chains into smaller groups
(e.g. like to define tls groups).
Thanks,
Gino
******************************************************************************
Gino Cingolani, Ph.D.
Associate Professor
Thomas Jefferson University
Dept. of Biochemistry & Molecular Biology
233 South 10th Street - Room 826
Philadelphia PA 19107
Office (215) 503 4573
Lab (215) 503 4595
Fax (215) 923 2117
E-mail:
gino.cingolani@jefferson.edu
Website:
http://www.cingolanilab.org
******************************************************************************
"Nati non foste per viver come bruti, ma per seguir virtute e canoscenza"
("You were not born to live like brutes, but to follow virtue and knowledge") Dante,
The Divine Comedy (Inferno, XXVI, vv. 119-120)
On Thu, Jul 12, 2012 at 9:16 AM, Gino Cingolani
<Gino.Cingolani@jefferson.edu> wrote:
I'm refining a large oligomeric structure at low res (~6A).
I'd like to define groups to use for 'segmented rigid body refinement'.
Is there any rational way to define 'segments'?
My macromolecule is already an oligomer on its own, so, intuitively,
each protomer is a segment.
Not sure I understand the question - do you mean you want to split the individual chains into smaller groups, and you're looking for an analytical method for determining these groups?
-Nat
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