TNT geometry file for deoxy-heme

Puius puius at
Thu Jun 29 20:16:13 EST 1995

Dear netters,
	Anybody out there have either
	a) A good file for distance constraints in a deoxy,
unliganded heme suitable for use in TNT? 
	b) A suggestion as to a really well-refined structure where I can
pull out reliable values for angles and/or distances (to build my own)?

TNT comes with a carbonmonoxy-heme that I stick any ligand on to, but
the domed porphyrin of the deoxy-heme has different Fe-N bonds.

Many thanks,
Yoram A. Puius                            Albert Einstein College of Medicine
puius at            Department of Biochemistry
M.D.-Ph.D.    Class of 1999 [?]           Bronx, NY  10461
I thought I could show up at a job interview and say, "I wanna figure out
how the world works.  Can you start me out at sixty thou a year, with
perks?"  It just doesn't work that way.  There is no interface between
curiosity and greed.				- Ian Shoales

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