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/
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