[MMTK] MMTK PDB files and CNS

Kyle Krull krullk@purdue.edu
Sat, 1 Mar 2003 16:32:27 -0500 (EST)


	I would like to use PDB files output by MMTK with CNS, but I am
getting errors when trying to read them into CNS.  I think this is due to
CNS using a different naming convention for hydrogen atoms (they're the
only atoms that cause errors).  As far as I can tell, it looks like MMTK
writes files in Brookhaven format, while CNS expects files to be in CHARMM
format.  Does anybody know if MMTK can write a file in CHARMM format or if
there's an easy way to convert between the formats with another program?
I've tried using Scientific's 'xplor' output format, but all that does is
rename a few oxygen atoms - something that CNS already handles at this
point.

Thanks,
	Kyle Krull