program to add hydrogens

M. L. Dodson bdodson at BEOWULF.UTMB.EDU
Thu Jul 7 08:59:50 EST 1994


Hello all,
I am looking for a particular kind of software.  I need to be able to
add hydrogens to PDB files (in standard geometry).  I expect to have to
identify what _kind_ of atoms are in the molecule.  I can do this, but in
a very cumbersome fashion, in amber.  This is in preparation for a mopac
run to get partial charges.  If the software had the ability to convert
between cartesian and internal coordinates with a simple option choice,
it would be even better :)  If anyone has a pointer to (preferably) non-
commercial software that has this capability, please let me know.  Unix
is preferred, although Mac or PC is not out of the question.  VMS does me
no good unless it is in source form.
Thanks,
Bud Dodson
-- 
M. L. Dodson                                bdodson at beowulf.utmb.edu
409-772-2178                                FAX: 409-772-1790



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