From: Andrew Orry [[log in to unmask]]
Sent: February 5, 2015 4:57 PM
To: Kgosisejo, Oarabile; [log in to unmask]
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-Browser here (Win, Mac or Linux) http://www.molsoft.com/getbrowser.cgi
2. Read in the PDB structures using the search tab or File/Open
2. Select the residues in the proteins you wish to superimpose
3. Click on the superimpose button in the display tab - you can select one structure to be static.
http://www.molsoft.com/gui/protein-structure-tutorials.html#protein-structure-tutorials-superimpose
Thanks,
Andrew

-- 
Andrew Orry Ph.D.
Senior Research Scientist
MolSoft LLC
11199 Sorrento Valley Road 
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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 upload the whole model.

Thank you for your advise

Best Regards,

Oarabile M. Kgosisejo, MSc. Candidate
University of Saskatchewan

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