Dear all,
I am trying to compare several related structures using LSQKAB. In
order to refine the superpositions, I'd like to use the option
"radius", to see the relative postion of certain residues within a
given distance from a common point.
The programme reads the commands OK:
" ALL ATOMS MORE THAN 30.000 ANGSTROMS FROM REFERENCE POINT 46.520
37.890 40.280 EXCLUDED"
as well as the fixed input coordinate file:
" Logical name: XYZIN2 File name: wtC_on_MnA_SSM.pdb
PDB file is being opened on unit 1 for INPUT."
No sign of any other file being opened/read, but the following error
message is output instead:
" LSQKAB: ERROR: in XYZADVANCE file has not been opened
LSQKAB: ERROR: in XYZADVANCE file has not been opened "
and the job stops.
This happens for both ccp4 versions 6.0.2 and 6.1.1.
Is there a working version of the programme somewhere? If not, what
other programme could do the same thing (in a simple way...)?
Thanks for any suggestions!
Anita
Anita Lewit-Bentley
Unité d'Immunologie Structurale
CNRS URA 2185
Département de Biologie Structurale & Chimie
Institut Pasteur
25 rue du Dr. Roux
75724 Paris cedex 15
FRANCE
Tel: 33- (0)1 45 68 88 95
FAX: 33-(0)1 40 61 30 74
email: [email protected]
