|
Hello,
has anyone encountered this problem with
watertidy?
......... watertidy logfile ......
*** Output H2o lines and occupancy for nonbonded *** 301 250.710 ** Average B values and bond length for H2Os
with 0 1 2 3 4 bonds to protein ** Number of bonds per H2O 0 Number of H2Os 301 Average B 27.321 Average H bond 0.000 WATERTIDY: Normal termination Times: User: 1.8s System: 0.5s Elapsed: 0:01 </pre> </html> *************************************************************************** * Information from CCP4Interface script *************************************************************************** ERROR Can not find suitable unique chain name Try editting the file CCP4I_TOP/scripts/watertidy.script to add new chain names to the list called 'names' *************************************************************************** #CCP4I TERMINATION STATUS 0 #CCP4I TERMINATION TIME 16 Feb 2001 10:32:59 #CCP4I MESSAGE Task failed ----------------------------------------------------------------
I have tried to add those id names but it did not
help. I think
the problem is somewhere else.
Jan Dohnalek
(Mr.)
Institute of Macromolecular Chemistry Heyrovskeho nam. 2, 162 06 Praha 6 Czech Republic (search in the middle of Europe) Tel. : ++4202 20403205 Fax: ++4202 35357981 E-mail: dohnalek@imc.cas.cz ******************************************************************* |