Re: [ccp4bb] Is there any program for specifically calculating Rvalue in CCP4

2011-03-03 Thread Pavel Afonine
Hi, - phenix.fmodel will probably output it too or maybe there is some > phenix.get_me_my_damn_rfactor or such as Eric pointed out earlier, the command phenix.model_vs_data model.pdb data.mtz will do exactly this. Pavel. P.S.: phenix.fmodel is the tool to compute total model structure facto

Re: [ccp4bb] Is there any program for specifically calculating Rvalue in CCP4

2011-03-03 Thread Ed Pozharski
On Thu, 2011-03-03 at 14:13 +0800, Ting-Wei Jiang wrote: > I'm trying to calculate R-value (and free R) specifically which is > between data and the modified structure(refined by myself without help > from any program). At long last, someone escaped the tyranny and oppression of the refinement pr

Re: [ccp4bb] Is there any program for specifically calculating Rvalue in CCP4

2011-03-03 Thread Eleanor Dodson
On 03/03/2011 06:13 AM, Ting-Wei Jiang wrote: Dear all experts, I'm trying to calculate R-value (and free R) specifically which is between data and the modified structure(refined by myself without help from any program).I've looked the program for calculating a long while.Actually,I found one n

Re: [ccp4bb] Is there any program for specifically calculating Rvalue in CCP4

2011-03-02 Thread James Stroud
On Mar 2, 2011, at 11:13 PM, Ting-Wei Jiang wrote: > I'm trying to calculate R-value (and free R) specifically which is between > data and the modified structure(refined by myself without help from any > program) You probably mean "without help from any refinement program." Why not fix all at

Re: [ccp4bb] Is there any program for specifically calculating Rvalue in CCP4

2011-03-02 Thread Eric Larson
Dear TingWei, Can you provide more details of what you are trying to do and why, and how you manipulated the model for which you want to determine the R-values? Is it data you collected and a model that you have been working on or is it a structure and its data from the PDB that you are worki

[ccp4bb] Is there any program for specifically calculating Rvalue in CCP4

2011-03-02 Thread Ting-Wei Jiang
Dear all experts, I'm trying to calculate R-value (and free R) specifically which is between data and the modified structure(refined by myself without help from any program).I've looked the program for calculating a long while.Actually,I found one named Rsearch (CCP4 supported).Nevertheless,I can