[ccp4bb] RMSD of side chains

2012-01-13 Thread Appu kumar
Dear ccp4 users, Would you please guide me how to calculate the RMSD of side chains alone without considering C-alpha backbone. Is/are there any program/programs availble which do this job. I want to know the RMSD of side chains for protein comparison. Thank you in

Re: [ccp4bb] RMSD of side chains

2012-01-13 Thread Ethan Merritt
On Friday, 13 January 2012, Appu kumar wrote: Dear ccp4 users, Would you please guide me how to calculate the RMSD of side chains alone without considering C-alpha backbone. Is/are there any program/programs availble which do this job. I want to know the RMSD of

Re: [ccp4bb] RMSD of side chains

2012-01-13 Thread Appu kumar
Firstly thanks to Robert Nicholls for making me aware of the software necessary for side chain RMSD calculation. I have installed and now going through manual to use it for exploiting the structural differences. Thanks a lot. Secondly, for Ethan Merritt, I am seeking the information for comparing

Re: [ccp4bb] RMSD of side chains

2012-01-13 Thread Ethan Merritt
On Friday, January 13, 2012 09:07:07 am Appu kumar wrote: Firstly thanks to Robert Nicholls for making me aware of the software necessary for side chain RMSD calculation. I have installed and now going through manual to use it for exploiting the structural differences. Thanks a lot.

Re: [ccp4bb] RMSD of side chains

2012-01-13 Thread Robert Nicholls
Let me put it this way. Suppose you were reading a paper about someone else's structures. Which of these two statements would be more useful: 1) The RMSD for sidechain atoms between apo and holo was 0.678 Å. or 2) Only two residues exhibited a significant change of conformation: the Asn

Re: [ccp4bb] RMSD of side chains

2012-01-13 Thread Ed Pozharski
On Fri, 2012-01-13 at 10:40 -0800, Ethan Merritt wrote: Which of these two statements would be more useful: 1) The RMSD for sidechain atoms between apo and holo was 0.678 Å. or 2) Only two residues exhibited a significant change of conformation: Perhaps the same is true for the