CRYANA: Crystallographic pcs for Paramagnetic CYANA

Cryana is an upgraded version of Paramagnetic CYANA 2.1 that allows the use of pseudocontact shift (pcs) data obtained from non-diluted solid state protein samples. If the crystal symmetry and the dimensions of the crystallographic cell are known, Cryana evaluates the contributions of all metals in the crystal to the pcs values of the protein nuclei.

Luchinat C., Parigi G., Ravera E., Rinaldelli M., J. Am. Chem. Soc., 2012, 134 (11), pp 5006–5009.

From Paramagnetic-CYANA 2.1 to CRYANA and Commands explanation

Tutorial (.docx)
Tutorial (.pdf)

Download the source files


Here you can find a calculation example