[COOT] to regenerate a pdb file from ssm matrix

[jenny flower]

Hello,

I have 4 chains in my pdb, I SSM chain B,C,D to chain A. If I refined chain
A, can regenerate a pdb with whole 4 chains from refined chain A, by
applying SSM matrix? I see Xterm window show SSM matrix when I do SSM, but
somewhere a log file contain this matrix information also?

thanks!

Qing

Re: [COOT] to regenerate a pdb file from ssm matrix

[Paul Emsley]

jenny flower wrote:

Hello,

I have 4 chains in my pdb, I SSM chain B,C,D to chain A. If I refined 
chain A, can regenerate a pdb with whole 4 chains from refined chain A, 
by applying SSM matrix? I see Xterm window show SSM matrix when I do 
SSM, but somewhere a log file contain this matrix information also?


Dear Qing/Jenny Flower,

When you say I refined chain A, I am presuming that you mean that you 
have done some model building using Coot.  You then want to apply the 
edits that you have made each of the chains in your model (applying the 
NCS transformations as necessary):


You should read the user manual, section 5.27 Applying NCS Edits:

http://www.ysbl.york.ac.uk/~emsley/coot/doc/chapters/user-manual_5.html#SEC134

In your case it seems that you want this function:

(copy-from-ncs-master-to-others imol master-chain-id)

HTH,

Paul.