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correct format output for hetatm
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lmiq committed Apr 14, 2018
1 parent 86a266f commit d2e000d
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions output.f90
Original file line number Diff line number Diff line change
Expand Up @@ -502,8 +502,8 @@ subroutine output(n,x)
end if

if(record(1:6).eq.'HETATM') then
format_line = pdb_atom_line
if ( i_ref_atom > 99999 ) format_line = pdb_atom_line_hex
format_line = pdb_hetatm_line
if ( i_ref_atom > 99999 ) format_line = pdb_hetatm_line_hex
write(30,format_line) record(1:6), i_ref_atom,&
record(12:21), write_chain, iires,&
record(27:27),&
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