Program Description: |
TNT is a program package which is used to "refine" models of
macromolecules. It has been used for a number of years to produce
improved models based upon X-ray diffraction data and the knowledge
of chemical structures learned from small molecules.
How to run the test cases under /usr/local/fbscapp/tnt/doc/examples
directory?
The following test assumes that the user wants to try the test case
of refining a protein-inbibitor complex of the enzyme Thermolysin.
1) cp -r /usr/local/fbscapp/tnt/doc/examples/phrm .
2) cd phrm
3) cp /usr/local/fbscapp/tnt/data/symmetry/p6122.dat .
4) cp phrm.cor init.cor
5) edit the file tln_phrm.tnt
and change the following line
INCLUDE ../../../data/symmetry/p6122.dat
to
INCLUDE ./p6122.dat
6) To run 30 cycles of refinement, type
tnt 1 30
You can also use the other predefined TNT commands,
like "geometry", "rfactor", "to_pdb" along with a
coordinate file.
For example,
geometry phrm.cor
For more information, visit TNT's homepage at the following
link
http://www.uoxray.uoregon.edu/tnt/welcome.html
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