Start a new ARIA project with AURELIA data:

This setup is not yet working. If you want to try it, please leave me a message. I just need some example files for testing.

You can set up a new project with AURELIA user info files and AURELIA user peak lists.

Each line of the user info file must have the following format:
# 8.17 NH 7 2FMR
with the fields:
# ppm atomname residuenumber segid

Each line of the user peak lists must have the format:
# 110.2 65.33 8.70 3.55 ... 
with the fields:
# ppm1 ppm2 ppm3 ppm4 atomname1 atomname2 atomname3 atomname4 residue1 residue2 residue3 residue4

1. Edit the directory names:

Current ARIA program directory:           
Path of the new project:                  
Run number:	                          


SPECTRUM 1: Name:                         
            .peaks file:	          
            .prot file:	                  
            Heteronucleus 1:              
            Proton 1:                     
            Heteronucleus 2:              
            Proton 2:                     
            PPMD for Heteronucleus 1:     
            PPMD for Proton 1:            
            PPMD for Heteronucleus 2:     
            PPMD for Proton 2:            
            Use which peaks:              

SPECTRUM 2: Name:                         
            .peaks file:		  
            .prot file:                   
            Heteronucleus 1:              
            Proton 1:                     
            Heteronucleus 2:              
            Proton 2:                     
            PPMD for Heteronucleus 1:     
            PPMD for Proton 1:            
            PPMD for Heteronucleus 2:     
            PPMD for Proton 2:            
            Use which peaks:              

SPECTRUM 3: Name:                         
            .peaks file:                  
            .prot file:                   
            Heteronucleus 1:              
            Proton 1:                     
            Heteronucleus 2:              
            Proton 2:                     
            PPMD for Heteronucleus 1:     
            PPMD for Proton 1:            
            PPMD for Heteronucleus 2:     
            PPMD for Proton 2:            
            Use which peaks:              

SPECTRUM 4: Name:                         
            .peaks file:                  
            .prot file:                   
            Heteronucleus 1:              
            Proton 1:                     
            Heteronucleus 2:              
            Proton 2:                     
            PPMD for Heteronucleus 1:     
            PPMD for Proton 1:            
            PPMD for Heteronucleus 2:     
            PPMD for Proton 2:            
            Use which peaks:              

SPECTRUM 5: Name:                         
            .peaks file:                  
            .prot file:                   
            Heteronucleus 1:              
            Proton 1:                     
            Heteronucleus 2:              
            Proton 2:                     
            PPMD for Heteronucleus 1:     
            PPMD for Proton 1:            
            PPMD for Heteronucleus 2:     
            PPMD for Proton 2:            
            Use which peaks:              

Sequence or PDB file:           
Dihedral angle restraints:      
Karplus restraints 1:           
Karplus restraints 2:           
Karplus restraints 3:           
Karplus restraints 4:           
Karplus restraints 5:           
Residual dipolar couplings 1:   
Residual dipolar couplings 2:   
Residual dipolar couplings 3:   
Residual dipolar couplings 4:   
Residual dipolar couplings 5:   
Hbonds restraints:              
Chemical shift index file:      
Segid of the protein:           




2. Please save the updated parameters somewhere in a directory as new.html:





3. Type ARIA on the UNIX command line in that directory where you have saved your new.html.