[DI] Secondary structure from PDB for MolScript
"JohnMichaelSauder"sauder at castor.rm.fccc.edu
"JohnMichaelSauder"sauder at castor.rm.fccc.edu Fri Oct 6
11:42:59 EST 1995          I can't remember who the original
poster was, or if this was even the correct newsgroup, but if
you want to define the secondary structure  in MolScript, and
the PDB file doesn't give you that information, I'd highly
recommend RasMol.  RasMol is free and will run on a Mac, PC, or
UNIX system  (like Silicon Graphics).  It will read in a PDB and
calculate secondary  structure based on the hydrogen-bonding.
You can then create a MolScript  input file with the molecule in
the correct orientation and all of the  secondary structure
defined.  From the RasMol command line, just type:
write molscript file.in  The MolScript input file (file.in)
usually needs some editing.  There's usually a lot of extra
'turns' defined in between helical units or beta strands.  Just
delete all the 'turn' commands, then replace all the 'coil'
commands with  'tu