[ccp4bb]: one problem about lsqkab

[xinqi liu <xinqi_1@yahoo.com>]

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Dear all,
   When I use the LSQKAB in CCP4_40, I always get
wrong information. Could someone help me? The program
is:

lsqkab xyzin2 work.pdb xyzin1 refer.pdb xyzout
match.pdb << END-lsqkab
output xyz
end
END-lsqkab

The result information is:




1##########################################################

##########################################################

##########################################################
 ### CCP PROGRAM SUITE: LSQKAB      VERSION 3.5:
19/03/99##

##########################################################
 User: xinqi  Run date:  1/10/01  Run time:16:56:14


 Please reference: Collaborative Computational
Project, Number 4. 1994.
 "The CCP4 Suite: Programs for Protein
Crystallography". Acta Cryst. D50, 760-763.

 as well as any specific reference in the program
write-up.


 Data line--- title matching catalytic residues of 3A
to 2.1A taka
 Data line--- output  XYZ
 Data line--- output  deltas
 Data line--- end





 LSQKAB RUN 
                         matching catalytic residues
of 3A to 2.1A taka                                  




      OPEN FILES AS REQUESTED 

 FORMATTED      OLD     file opened on unit   7
 Logical name: XYZIN2, Full name: bb.pdb

             RF                                  RO

     0.016   0.000   0.000   0.000       63.610  
0.000   0.000   0.000
     0.000   0.016   0.000   0.000        0.000 
63.610   0.000   0.000
     0.000   0.000   0.009   0.000        0.000  
0.000 109.600   0.000
     0.000   0.000   0.000   1.000        0.000  
0.000   0.000   1.000


 FORMATTED      UNKNOWN file opened on unit   8
 Logical name: XYZOUT, Full name: aa.pdb


 FORMATTED      UNKNOWN file opened on unit   9
 Logical name: DELTAS, Full name: dues.delta

 LSQKAB:   ERROR: in XYZADVANCE file has not been
opened
 LSQKAB:   ERROR: in XYZADVANCE file has not been
opened                                             
 Times: User:       0.1s System:    0.0s Elapsed:   
0:00

  MATRICES DERIVED FROM CRYST1 CARD IN COORDINATE FILE



I tried several times, it seems the program can't
recognize the "XYZIN1" keywork, does someone know why?
Thanks a lot.

 

xinqi


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