Friday 11 July 2008

-freer_file but column not FreeR_flag

Had a bug report that adding the FREER_FILE option to a .xinfo file or -freer_flag to the command line caused a very nasty error if the file in question did not have a column named FreeR_flag. This is ok, except that the default in Phenix is now different. To fix this please download:

http://www.ccp4.ac.uk/xia/patch-3156.tar.gz

and run

tar xvfz patch-3156.tar.gz -C $XIA2_ROOT

this will update the wrapper for CAD and add a new module called FindFreeFlag. This runs MTZDUMP and looks at the column names to guess which is right. You free column should be called (something)free(something) and be of type I...

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