BMRZ Webportal
CYANA
CYANA Webportal

The CYANA Webportal service allows three types of NMR structure calculations. In the basic type, structure calculations can be performed using conformational restraints. It is assumed that the NOEs have already been assigned and converted to upper distance bounds. In this case, no automated assignment and callibration of NOEs is performed. Unambiguous assigned NOESY peak lists can be given as input in the manual type. NOESY peak assignment is possible by using the automatic type, for which there is an option to keep the (partially) assigned peak values. One needs a CYANA license to use this portal. For enquiries related to the CYANA license, please contact Peter GŁntert. For more information, see the CYANA reference manual.


Input files and parameters
Initial number of structures (range 20-100) : Required! Invalid Format! Invalid Range! Invalid Range!
Final number of structures (max 50) : Required! Invalid Format! Invalid Range!
Number of TAD steps (range 1000-10000) : Required! Invalid Format! Invalid Range! Invalid Range!
Residue number range for rmsd calculation : Required! Invalid Format! to Required! Invalid Format!
Seed (random number) for the calculation : Required! Invalid Format!

Sequence file (.seq) : Required!
Upper distances (.upl) :
Torsion angles (.aco) :

Type of structure calculation
Basic: without peak lists
Manual: unambiguous assigned peak lists (eg. from a previous run or manual assignment)
Automatic: unassigned peak lists      Tick to keep the (partially) assigned peak values

NOESY peak lists
For structure calculations with NOESY peak lists. Enter the parameters below as comma separated values without space. The input peak and resonance lists are either in the XEASY (.peaks and .prot) or NMRView (.xpk) format. The values for the average distance limits are only used for the manual-type automated calibration.

Chemical shift tolerances (H, H', C/N', C/N in ppm) : Required! Invalid Format!
Calibration constants (automated if left empty) : Required! Invalid Format!
Average distance limits (dref in Ň) : Required! Invalid Format!

Chemical shift list : Required!
Peak list 1 : Required!
Peak list 2 : Required!
Peak list 3 : Required!
Peak list 4 : Required!
Peak list 5 : Required!
Peak list 6 : Required!
Peak list 7 : Required!
Peak list 8 : Required!

Job Submission
Username : Required!
Password : Required!