Probably. You should source either the first or the second file depending on your shell (the first for bash, the second for tcsh/csh). That might be the cause of your subsequent problem.
For purposes of debugging, can you send us output for the following three commands: echo $PATH echo $CCP4 echo $CCP4I_TOP On Fri, May 16, 2008 5:22 pm, Eike Schulz wrote: > 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/ >> >> > William G. Scott Contact info: http://chemistry.ucsc.edu/~wgscott/
