On Thu, 2012-10-25 at 11:34 +0100, Eleanor Dodson wrote:
> You can use superpose LSQKAB to fit various residues by number..
> Eleanor
Eleanor is absolutely right.
Coot has Calculate->LSQ superpose option for that.
I feel what needs to be reiterated is that "CCP4 superpose" uses SSM -
secondar
You can use superpose LSQKAB to fit various residues by number..
Eleanor
On 24 Oct 2012, at 23:59, WENHE ZHONG wrote:
> Dear members,
>
> I have one difficult task on hand and would like to ask for your advice.
>
> I want to superpose two enzyme structures just based on several residues
> (e
On 25 Oct 2012, at 00:45, Zhijie Li wrote:
> This is especially useful when the program does not give you options on
> residue ranges (for example, COOT SSM superpose).
It does but you need to use the function superpose-with-atom-selection from the
scripting interface.
cp4bb
Subject: Re: [ccp4bb] CCP4superpose_only superpose interesting residues
Hi Wenhe,
Superpose allows you to specify residue (as well as Ca/main chain/side chain)
ranges. Also in COOT you can select the range of residues used in the LSQ
superpose calculation.
For superposing parts of the pro
program does not give you options on residue ranges (for example, COOT
SSM superpose).
Zhijie
From: WENHE ZHONG
Sent: Wednesday, October 24, 2012 6:59 PM
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] CCP4superpose_only superpose interesting residues
Dear members,
I have one difficult task on hand
Dear members,
I have one difficult task on hand and would like to ask for your advice.
I want to superpose two enzyme structures just based on several residues
(e.g. 5 residues) which we are interested in. But these two structures do
not have similarity for overall structures. In this case, I can
