SA Omit Maps

Tristan J. Fiedler M.Sc. tfiedler at NEWSSUN.MED.MIAMI.EDU
Mon Aug 10 12:01:25 EST 1998


Hello Xplorers!

I am currently refining a large protein structure and would like to
exclude several aa side chains from the refinement and xFo-yFc map
making procedure.  Is it best to:

1.	Physically remove the atoms from the input pdb file

2.	Use the 'delete' statement as follows:

 delete			
	selection = ( segid "sega" and resid 113)
 end
 delete			
	selection = ( segid "sega" and resid 114)
 end

3.	Set the atoms occupancy to '0'
 
4. 	None of the above.  Please suggest...

Thank you for any input.  It is always appreciated.

Tristan Fiedler




-- 
Tristan J. Fiedler, M.Sc.
Graduate Program in Biochemistry & Molecular Biology
University of Miami Medical School

email: tfiedler at newssun.med.miami.edu



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