[modeller_usage] wrong column range?

[Attila Gulyas-Kovacs <>]

Hi there,

I am using the model.write_data function with output='PSA' to calculate 
the atomic solvent accessibility. The 'output.sol' pdb file has two new 
columns on the right. I figured out that the rightmost column must be 
the atomic solvent accessibility values. But what is the meaning of the 
one to the left (the second rightmost column)?

Second question: these two new columns seem 'right shifted' as compared 
to the Occupancy value (should have column range 55-60) and B-value 
(expected between 61-66). This shift messes up with other applications 
that use these arrays. Am I wrong about this shift? If now, can the 
model.write_data function easily be corrected?

thanks

Attila