[Xplor-nih] sani

[Devanathan Raghunathan]

Hi,
Is there any script that would read in a pdb file and automatically  
calculate the rdcs  observed as it is done in XPLOR (sani protocol)  
where it compares the calculated and observed values.....I do not  
want to use the whole xplor module...but just back calculate the sani  
rdc values for selected atoms in select residues without invoking  
xplor. It would be great if someone could enlighten me behind the  
method sani uses to do this...
regards
devan