• Welcome to CYANA web portal
Recommended browser: Mozilla Firefox
  • Important information
    To use this portal one needs a CYANA license, a valid Grid Certificate and Register with e-NMR VO.
    For queries related to CYANA license please contact Prof. Dr. Peter Güntert
    If you already have a CYANA license and a valid Grid Certificate, please Contact Us / Send Feedback to obtain login credentials or regarding any other query with respect to this portal.

  • Description of the portal
    This service allows three types of Cyana structure calculations.

    In the default case, calculations can be performed using conformational restraints. It is assumed that NOEs have already been assigned and converted to upper distance bounds. No automated assignment of NOEs is performed.

    Manually assigned peaks can be used in the assigned peaks case.

    Automated NOESY peak list assignment can be done using the unassigned option of structure calculation. The input data are unassigned NOESY peak lists in the format of the program XEASY (*.peaks) or NMRView (*.xpk)
    • Cyana Structure Calculations
    Input Files and Parameters
    (Download Example Input Files)
    Job name (One word):
    Required!

    Files Upload Amino acid sequence (3 letter code) file :    Required!

    File with upper distance bound restraints :

    File with torsion angle restraints :              


    Enter Structure calculation parameters Number of structures :     Initial (Range 20 - 100)         Not in Range ! Final (Max 50)
    Required!
    Number of torsion angle dynamics steps (Range 1000 - 10000) :                     
    Not in Range !
    Residue number range for RMSD calculation :             From Required!          To    
    Required!

    Choose the type of Structure calculation Default: Without Peak list(s) (Files with distance restraints and torsion angle restraints required)
    Assigned Peak list(s)
    Unassigned Peak list(s) --- Tick to keep partially assigned peak values       
    Peak list(s) Parameters

    The following parameters are to be entered as Comma Separated Values (without any space) as in the default values shown below.

    Shift tolerance(s) H, H', C/N', C/N :


    Calibration Constants (Automatic, if left empty):


    Average distance limit for automatic calibration (In Angstroms) :



    Upload Chemical Shift list and the Peak list(s) :


    Chemical Shift list

    Peak list 1

    Peak list 2

    Peak list 3

    Additional Peak list(s) (Optional)

    Peak list 4 

    Peak list 5 

    Peak list 6 

    Peak list 7 

    Peak list 8 

    Peak list 9 

    Additional Parameters & Files
    Specify a seed for your calculation :

    More parameters to be added ...


    Job Submission Username :     Required!
    Password :     Required!