Re: [ccp4bb] B-factor problem

2008-06-23 Thread Eleanor Dodson
Sampath Natarajan wrote: Dear All, I am refining a structure with 2.5A resolution by refmac5. I could find the solution by MR using molrep. After fitting the model, I refined the structure again with 0.3 weighting term, but the output PDB file shows many splits in the residues. So I us

Re: [ccp4bb] B-factor problem

2008-06-21 Thread Debajyoti Dutta
Hi, What is the lower limit of the weighting term one can use. If the data is around 2A can one use 0.04 or less and which type of refinement is more useful when one is doing the initial refinement (isotropic, aisotropic, overall or mixed). sincerely Debajyoti On Tue, 17 Jun 2008 Roger R

Re: [ccp4bb] B-factor problem

2008-06-17 Thread Ethan Merritt
On Tuesday 17 June 2008 09:08:24 am Sampath Natarajan wrote: > Dear All, >I am refining a structure with 2.5A resolution by refmac5. I > could find the solution by MR using molrep. After fitting the model, I > refined the structure again with 0.3 weighting term, but the output PDB file

Re: [ccp4bb] B-factor problem

2008-06-17 Thread Anastassis Perrakis
On 17 Jun 2008, at 19:56, Roger Rowlett wrote: Sampath Natarajan wrote: Dear All, I am refining a structure with 2.5A resolution by refmac5. I could find the solution by MR using molrep. After fitting the model, I refined the structure again with 0.3 weighting term, but the ou

Re: [ccp4bb] B-factor problem

2008-06-17 Thread Roger Rowlett
Sampath Natarajan wrote: Dear All, I am refining a structure with 2.5A resolution by refmac5. I could find the solution by MR using molrep. After fitting the model, I refined the structure again with 0.3 weighting term, but the output PDB file shows many splits in the residues. So I

[ccp4bb] B-factor problem

2008-06-17 Thread Sampath Natarajan
Dear All, I am refining a structure with 2.5A resolution by refmac5. I could find the solution by MR using molrep. After fitting the model, I refined the structure again with 0.3 weighting term, but the output PDB file shows many splits in the residues. So I used 'auto' as a weighting te