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Balaji Bhyravbhatla balaji at sb.fsu.edu
Tue Jan 19 14:54:41 EST 1999

I have a 3 chain poly-peptide and am generating the psf and pdb file
using generate.inp.
As I have done before I used the Suggest option in moleman and placed
the OT1 and OT2 atoms at the end of each chain and then put them 
together in XPLOR. But this time around I am having a problem with the
OT2 atom of the C-chain (the last chain) 
ATOM    148  OT1 PRO    67      -0.201   5.488  29.242  1.00 20.00     
ATOM    149  OT2 PRO    67    9999.0009999.0009999.000  1.00 20.00     
ATOM    150  C   PRO    67      -0.983   6.438  29.242  1.00 20.00     
I have tried to change the order of the three chains to see if thereis
wrong with the residue itself but allways the last chain OT2 is missing.
I am unable to get the coords for the OT2 atom and a H-build gives me an

 POWELL: number of degrees of freedom=    39
 %ATMCHK-ERR: unknown coordinates for atom "Cad3-67  -PRO -OT  "
 %ATMCHK-ERR: Unknown coordinates
 BOMLEV=    0 reached.  Program execution will be terminated.
 Subroutine DIE called . Terminating

Can anyone suggest a solution? Please?
Dr. Balaji Bhyravbhatla                           
Institute of Molecular Biophysics, FSU                   
Room 412 -- (850) 644 6547                       
balaji at sb.fsu.edu

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