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COMPARE scripts



Hello Modellers,

I have built a protein structure using MODELLER and would like to compare
it with the actual crystal structure using the COMPARE routines.  The
MODELLER protein and XRAY protein have the same sequence but the MODELLER
protein is numbered from 1-494 and the XRAY protein is numbered from 7-500
and contains multiple chains.  So MODELLER complains:

sequence difference between alignment and pdb

compare_W> some residues are without DISTANCE_ATOMS[1] atom

So is there something simple I can do to make this compare script work?

I am thinking that I can delete the other chains and renumber the residues
in the xray structure file to make it look similar to the MODELLER
produced file but was hoping there was something easier to do.

Any help would be much appreciated.

Troy Wymore