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Dear Graeme,
Yes, we have seen it. It is caused by a small bug in ARP/wARP 6.1.1 that
appears only under a number of conditions in space group P1. Fixing the
bug requires recompillation. The fixed and recompiled executable is
running on the Cluster in Hamburg, so that if you submit the tracing
task for remote execution, it should run fine. Otherwise sorry for
inconveniences.
Best regards,
Victor
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Hi Folks,
Anyone ever seen anything like this:
" Taking the results from Round 2
<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
Chains 18, Residues 250, Connectivity Index 0.86
7 of these (123 residues) have been docked in sequence.
<!--SUMMARY_END--></FONT></B>
------------------------------------------------------
<B><FONT COLOR="#FF0000"><!--SUMMARY_BEGIN-->
QUITING ... PROGRAM TO BLAME: ARP_WARP_MODE_UPDATE_BUILD
QUITING ... PROGRAM TO BLAME: ARP_WARP_MODE_UPDATE_BUILD
QUITING ... PROGRAM TO BLAME: ARP_WARP_MODE_UPDATE_BUILD
*** Look for error message at file:
/tmp/00002/2006105344/2006105344_warpNtrace_build.last.log
*** Look for error message at file:
/tmp/00002/2006105344/2006105344_warpNtrace_build.last.log
*** Look for error message at file:
/tmp/00002/2006105344/2006105344_warpNtrace_build.last.log
<!--SUMMARY_END--></FONT></B>
[1] 24324
CCP4I ERROR:Def file does not exist NOT_DEFINED"
ok, I know you probably have but this is the end of the offending log file -
all you have is:
" Comments: New atoms will be selected if there is any atom exists within 3.30
Comments: New atoms will not be put closer than 2.30 to each other
Comments: New atoms will have B-factors assigned on the basis of MAPFIND
-- density hight as expected for resolution range 1.60 20.00
-- MAPFIND is assumed to be Fo-Fc map in absolute scale
Comments: New atoms will have chain name Z and residue name DUM
-- No real space refinement will be made
Opening file: arp_out.pdb
Non-standard orthogonalisation in PDB header
0.020995 -0.006166 -0.009881
0.000000 0.021869 -0.003710
0.000000 0.000000 0.023009
***** ERROR *****
Closing file arp_out.pdb"
The data are good, and the map is nice, but with the spacegroup being P1 the completeness is less than ideal at higher (> 2A) resolution...
Any hints as to what I could do to fix this?
Thanks in advance,
Graeme
