CHARMM Development Project
Posted By: lennart rename-2pdb.str - 10/23/03 10:42 AM
*FILENAME: rename-2pdb.str
*PURPOSE: rename atoms, residues to PDB standard usage
*AUTHOR: Lennart Nilsson, Karolinska Institutet, October 10, 2003
! There is a PSF present
!NB: Bomlev is set to -1 to avoid stopping on empty selections
! read rtf...
! read para...
! read psf...
! stream rename-2pbd.str

bomlev -1
rename resnam his sele resn hsd end
rename resnam his sele resn hse end
rename resnam his sele resn hsp end
rename atom CD1 sele resn ile .and. type CD end
rename atom HG sele resn cys .and. type HG1 end
rename atom O sele type OT1 end
rename atom OXT sele type OT2 end

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