Dear all, I have two problems with ctruncate. I tested two versions, the "old" one from the 6.1.1 binary distro and a self compiled version including the patch. As dataset I used data/mtz/X13089.mtz from the test-framework, which should be a twinned dataset.
problem 1: The new version isn't able to detect the twinning anymore. problem 2: When running from ccp4i the used command is /usr/bin/ctruncate -mtzin data/mtz/X13089.mtz -mtzout out.mtz -colin "/*/*/[IMEAN,SIGIMEAN]" -colano "/*/*/[I(+),SIGI(+),I(-),SIGI(-)]" Either running it from the interface or the shell it works fine but the resulting mtz[2] is broken. From the manpage it says that those -colin or -colan are the default values and passing them should give no difference compared to without. But it actually does. If I run the command like it is used in the test-framework /usr/bin/ctruncate -mtzin data/mtz/X13089.mtz -mtzout out.mtz the resulting mtz is fine [1]. Does anybody experienced similar problems? These are the links to the mtzdumps and build.logs of the different runs. [1] mtzdump from "unbroken" mtz http://dev.gentooexperimental.org/~jlec/paste/mad.html [2] mtzdump from "broken" mtz http://dev.gentooexperimental.org/~jlec/paste/good.html [3] _binary_ /usr/bin/ctruncate -mtzin data/mtz/X13089.mtz -mtzout out.mtz -colin "/*/*/[IMEAN,SIGIMEAN]" -colano "/*/*/[I(+),SIGI(+),I(-),SIGI(-)]" http://dev.gentooexperimental.org/~jlec/paste/old.bad.html /usr/bin/ctruncate -mtzin data/mtz/X13089.mtz -mtzout out.mtz http://dev.gentooexperimental.org/~jlec/paste/old.good.html [4] _compiled_ /usr/bin/ctruncate -mtzin data/mtz/X13089.mtz -mtzout out.mtz -colin "/*/*/[IMEAN,SIGIMEAN]" -colano "/*/*/[I(+),SIGI(+),I(-),SIGI(-)]" http://dev.gentooexperimental.org/~jlec/paste/bad.log.html /usr/bin/ctruncate -mtzin data/mtz/X13089.mtz -mtzout out.mtz http://dev.gentooexperimental.org/~jlec/paste/good.log.html Thanks justin -- Justin Lecher Institute for Neuroscience and Biophysics ISB3 - structural biochemistry Research Centre Juelich GmbH, 52425 Juelich,Germany phone: +49 2461 61 5385
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