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Library file "/Users/julienorts/Downloads/cyana-3.98.15/lib/cyana.lib" read, 41 residue types.
To be able to execute cyana in any directory, one options is to create an alias. For that,
- open the ~/.zshrc (or ~/.bashrc) file
- add a line with:
alias cyana='"download path"/cyana-3.98.15/cyana
(replacing the "download path" with the actual one) - source the file in the terminal that you work:
$ source ~/.zshrc (or ~/.bashrc)
also newly opened terminal (command line) will have the cyana command available - without the need to execute "source"
Hint: More information on the CYANA commands etc. is in the CYANA 3.0 Reference Manual.
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The initial rate of the NOESY crosspeak, is directly proportional to the 1/distance6 between the respective spins (protons). The other dependency comes from the rotational correlation time of the molecule, which is dependent on temperature, solvent viscosity, solvation shell of the molecule, shape of the molecule, and in the case of a small molecule partly bound to a larger protein, the effective correlation time is also modulated by this partial bounding - the chemical exchange. Therefore, it is practical to leave these dependencies aside, and calibrate the relation between the NOE buildup rate (cross-relaxation rate) and the interproton distance using a known distance. Fortunately, there are many proton pairs in the molecule with fixed distance, simply due to the covalent structure.
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