[modeller_usage] problem with ligand attachment

[Natasha Khan <>]

Hello

I am trying to attach hetatoms(4 Mn,4 Mg,4 NAD, and 1027 water molecules) to my model(an enzyme) using mod8v1,but somehow I always fail to get the output files(B9999????? and the V9999???? files ).I do get the other output files(D00000?????,.ini,.rsr,.sch).

The error that I get in the log file is:

 

delete__442E> One or more atoms absent from MODEL:  O:1976: C:1976: N:1977: CA:1977:
delete__442E> One or more atoms absent from MODEL:  O:1977: C:1977: N:1978: CA:1978:..................................................................................

............................................................................................................

..........................so on.

 

And the other error that it shows:

csrrng__299E> Atom index is out of bounds:    30677    30676
csrrng__299E> Atom index is out of bounds:    30680    30676
nselat__596E> Atom index is out of range (iatm,natm):    30680    30676

 

SOMEONE PLEASE SUGGEST A SOLUTION FOR  WHY THE MODEL IS NOT ACCEPTING THE HETATOMS?

 

Thanks

 

Natasha