Re: [ccp4bb] Superposition of select residues

2015-02-12 Thread Zhijie Li
nchain and 2 for CAs add_lsq_match(25,35,"B",25,35,"D",2) apply_lsq_matches(0,1)#assuming imol 1 is the moving one and imol 0 is the reference Zhijie -Original Message- From: yanfeng zhou Sent: Thursday, February 12, 2015 9:03 AM To: Zhijie L

Re: [ccp4bb] Superposition of select residues

2015-02-06 Thread Isaac Westwood
I find that the superposition in CCP4MG is the most flexible and easy to use implementation of any program I've used. There are multiple superposition methods each with the ability to select residues or atoms. It's very powerful. CCP4MG also happens to produce very pretty pictures! Isaac On 5 Feb

Re: [ccp4bb] Superposition of select residues

2015-02-05 Thread Zhijie Li
d let Coot run it, or you can type them one by one in Calculate-Scripting-python. Zhijie From: Kgosisejo, Oarabile Sent: Thursday, February 05, 2015 5:41 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] Superposition of select residues Hi all, Does anyone know of a program to use to superpos

Re: [ccp4bb] Superposition of select residues

2015-02-05 Thread Kgosisejo, Oarabile
Subject: Re: [ccp4bb] Superposition of select residues The free ICM-Browser from MolSoft can do this - http://www.molsoft.com/icm_browser.html It will calculate the Ca-atom, backbone and heavy atom differences between multiple structures and superimpose. To do this: 1. Download and install ICM

Re: [ccp4bb] Superposition of select residues

2015-02-05 Thread Andrew Orry
The free ICM-Browser from MolSoft can do this - http://www.molsoft.com/icm_browser.html It will calculate the Ca-atom, backbone and heavy atom differences between multiple structures and superimpose. To do this: 1. Download and install ICM-Browser here (Win, Mac or Linux) http://www.molsoft.c

Re: [ccp4bb] Superposition of select residues

2015-02-05 Thread holdenj
The program chimera will align homologous structures from which you can generate a sequence alignment (based on the structural alignment) http://www.cgl.ucsf.edu/chimera/docs/ContributedSoftware/matchalign/matchalign.html ~JH On 05.02.2015 14:41, Kgosisejo, Oarabile wrote: Hi all, Does anyo

[ccp4bb] Superposition of select residues

2015-02-05 Thread Kgosisejo, Oarabile
Hi all, Does anyone know of a program to use to superpose only selected protein residues, e.g. enzyme active site residues. I solved my structure using molecular replacement now I want to compare its active site to those of homologous structures. I have used the DALI server before but I had to