Sunday, 1 January 2012

refmac model statistics in cif format


From: wtempel
Date: 2 December 2011 16:22

Hello all.
Did anyone encounter the following?
Running refmac 5.6.0117/ccp4-6.2/ccp4i-2.1.0, I hoped to obtain, for
pdb_extract, the appropriate output model statistics. When I did not
find the cif file with a modification date similar to my output
coordinates, I noticed a series of
${project}_${crystalname}_${jobnumber}_${dataset}.refmac.cif files,
with appropriate job numbers, but with identical older creation dates.
They all have the same sizes, and random checksum comparison indicates
that they are in fact identical, corresponding to the oldest refmac
job in the group. This does not happen all the time (with other
projects) under this software configuration. Any ideas out there what
might be going on?
Thank you,
Wolfram Tempel

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