Dear All, I am trying to superpose 2 chains from the same pdb file. I have generated 2 separate pdb files, each with one chain, using PDBSET. When I run LSQKAB with the 2 generated files (on UBUNTU 10.04, ccp4 6.2) it fails to run. The 2 input files CONTAIN the columns for occupancies and B-factors. ( some old mails in the BB mention checking if these columns are present)
details of the error are: ############################ OPEN FILES AS REQUESTED opening coordinate file of model to be moved Logical name: XYZIN2 File name :/abc/def/../../*2.pdb pdb file is being opened on unit 1 for input Matrices derived from CRYST1 CARD in COORDINATE FILE RF RO matrices ..... logical name: XYZOUT filename: /abc/def/../../*12.pdb pdb file is being opened on unit 2 for output opening coordinate file of fixed model logical name:XYZIN1 filename:/abc/def/../../*1.pdb pdb file is being opened on unit 3 for input MAtrices derived from cryst1 card in coord. file RF RO matrices... FORMATTED UNKNOWN file opened on unit 7 logical name: RMSTAB, filename :/abc/def/../../*_rmstab.graph FORMATTED UNKNOWN file opened on unit 8 logical name: DELTAS, filename: /abc/def/../../*_deltas.log ** ZERO OCCUPANCIES IN WORKING SET** 0.0 ** ZERO OCCUPANCIES IN REFERENCE SET** 0.0 LSQKAB: ***ERROR - YOU HAVE FAILED TO FIND ANY ATOMS TO FIT *** ############################################## Any idea how to fix the problem? Thanks in advance, regards, sreetama
