Hello again,
thanks to some people for their fast and helpfully very detailed advice: Including ________________________________________________________________ source /usr/local/software/ccp4/ccp4-6.0.2/include/ccp4.setup-bash source /usr/local/software/ccp4/ccp4-6.0.2/include/ccp4.setup ________________________________________________________________ into my .bashrc did indeed solve the problem with MTZDUMP when executed from the shell. Further thanks for some other corrections. But unfortunately the error persists when I try to run refmac from the ccp4i GUI - it complains not to be able to extract data from an .mtz file. Did I miss anything important? Kind regards Eike On Fri, 2008-05-16 at 14:37 -0700, William Scott wrote: > > On Fri, May 16, 2008 1:06 pm, Eike Schulz wrote: > > Hello everybody, > > > > > > ---------------------------------------------------------------- > > setenv CCP4_MASTER /usr/local/software/ccp4 > > setenv CCP4 $CCP4_MASTER/ccp4-6.0.2 > > > > > For bash, zsh, etc, you need to start with > > export CCP4_MASTER=/usr/local/software/ccp4 > export CCP4=$CCP4_MASTER/ccp4-6.0.2 > > setenv is specific to (t)csh. > export is specific to the sh-like shells. > > > > > --------------------------------------------------------------- > > > > > > ... and the .bashrc contains following entries: > > > > > > --------------------------------------------------------------- > > PATH="$PATH:/usr/local/software/ccp4/ccp4-6.0.2/bin/" > > PATH="$PATH:/usr/local/software/ccp4/ccp4-6.0.2/include/" > > /usr/local/software/ccp4/ccp4-6.0.2/include/ccp4.setup-bash > > --------------------------------------------------------------- > > > I think that last line would need to be > > source /usr/local/software/ccp4/ccp4-6.0.2/include/ccp4.setup-bash > > and you shouldn't need this line: > > PATH="$PATH:/usr/local/software/ccp4/ccp4-6.0.2/include/" > > and you should get rid of the trailing slash on this line: > > > PATH="$PATH:/usr/local/software/ccp4/ccp4-6.0.2/bin/" > > to make it > > > PATH="$PATH:/usr/local/software/ccp4/ccp4-6.0.2/bin" > > but if ccp4.setup-bash works, you shouldn't need to explicitly set any > PATH, including the one you missed (for ccp4i). > > > > > > William G. Scott > > Contact info: > http://chemistry.ucsc.edu/~wgscott/ > >
