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Re: [modeller_usage] About the Modeller output in PDB format

Yun He wrote:
Hi, everybody. The structures produced by MODELLER are stored in PDB format, what does the value in last column stand for? In a normal PDB file, there is a temperature factor column, but in the modeller structure, it is not like a temperature factor, what is it? 
Normally in an automodel run, model.energy() is called with output='LONG 
VIOLATIONS_PROFILE'. This writes out the per-residue violations of all 
restraints into a .V file, and also into the temperature factor (Biso) 
column of your PDB. See http://salilab.org/modeller/manual/node151.html

You can also call model.write_data() to calculate other properties and 
write them into the Biso column. See 
http://salilab.org/modeller/manual/node141.html

	Ben Webb, Modeller Caretaker
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modeller-care@salilab.org             http://www.salilab.org/modeller/
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