Dear Justin I have been unable to reproduce either of these problems. Perhaps something went wrong during the self compilation process? Something odd seems to have gone on even in the logfiles you classify as good. For example, in
http://dev.gentooexperimental.org/~jlec/paste/good.log.html there are nan's in the L test data and the cumulative intensity distribution, and the acentric moments of E all seem to be exactly 1. Note that if your input mtz file contains anomalous data, you will get different results depending on whether or not you specify '-colano'. If you do specify it, F(+) and F(-) will be calculated from I(+) and I(-) respectively, and FMEAN will be calculated from FMEAN = 0.5*[F(+) + F(-)]; if you don't FMEAN will be calculated from IMEAN. You can download a linux binary for the latest ctruncate (including the patch) from ftp://ftp.ccp4.ac.uk/nds/bin/ctruncate Best wishes Norman Norman Stein CCP4 Daresbury Laboratory -----Original Message----- From: CCP4 bulletin board [mailto:ccp...@jiscmail.ac.uk] On Behalf Of Justin Lecher Sent: 08 July 2009 07:57 To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] ctruncate problems 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 -- Scanned by iCritical.
