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b2a
molecule.xyz
, output is written as
molecule.a.xyz
. To convert angstroms to bohr:
b2a -r molecule.xyz
, output is written as
molecule.b.xyz
. (Written by Tony Tauer)
setenv TNK_ROOT /usr/local/tinker
' into
~/.tcshrc
or whatever shell command file one runs
mp2xyz file1.out
[file2.out ...]
(Written by Tony Tauer)
pdb2xyz file.pdb
(Written by Trent Parker)
pyjob
.
(Written by Fuchang Yin)
pyxyz
.
(Written by Fuchang Yin)
qc2xyz
file.out file.xyz
. (Written by Alfred Park)