HELP: Protin

yangj at skyfox.usask.ca yangj at skyfox.usask.ca
Wed Jul 19 05:19:50 EST 1995


Hi, all, I was trying to refine my protein by prolsq. But I got a problem in
the program protin.  I gave the carboxy group oxygen atoms of the C-terminal 
residue as O and OT, then the program gave the following error messages. 
Would anyboby tell me what I did wrong and how to define the C-terminal residue
in PROTIN? I thank you in advance for your help.

 ***** ERROR *****
 Not ALL Atoms specified in the Special Distance Restraints 
  are Present in the Input Coordinates
    (Remember ZERO Occupancy Atoms are Ignored)
     check atom identifiers given on spec cards
     for reference,  0 Intra-Chain Special Distances out of   0 Specified
 have been found and   0 Inter-Chain Distances out of   3 Specified


 The following Atoms are missing from the deck  of atomic Coordinates ---


 OE   of GLUC288
 OXT  of GLUC288

 Symmetry Operator
 PROTIN:  Error during PROTIN run - check output
 Times: User:   17.6s System:   12.6s Elapsed:    0:35s

Jian Yang
Department of Chemistry
University of Saskatchewan
Saskatoon, Sask. S7N 5C9
Canada
Tel: (306) 966 4366
Email: Yangj at sask.usask.ca




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