Everything is working now.  Thanks...

> Try it now. The path to init.tcl was set incorrectly in the setup file.
> I have changed it and now it does not give any errors. The plot files are
> in the directory you indicated. I changed rw permissions to everybody.
>
> We'll finish the setup for NMRPIPE.
>
>
> At 05:21 PM 8/21/2006, you wrote:
>>Thanks Jaime,
>>
>>nmrPipe and nmrDraw are running correctly.  However, I have a problem
>> with
>>the readROI command.  It's in /software/NMRPIPE/com/readROI.  I get an
>>error about init.tcl ,tcl, and auto_path.  I don't have a variable called
>>auto_path set on my laptop, and it works fine.  The error is below:
>>
>>application-specific initialization failed: Can't find a usable init.tcl
>>in the following directories:
>>     /software/NMRPIPE/nmrtxt/tcl7.6 /usr/local/lib/tcl8.4
>>/software/NMRPIPE/nmrtxt/tcl7.6 /software/NMRPIPE/nmrtxt/tcl8.4
>>/software/NMRPIPE/bin/lib/tcl8.4 /software/NMRPIPE/lib/tcl8.4
>>/software/NMRPIPE/bin/library /software/NMRPIPE/library
>>/software/NMRPIPE/tcl8.4.1/library /software/tcl8.4.1/library
>>/usr/local/lib/tcl8.4
>>
>>
>>This probably means that Tcl wasn't installed properly.
>>
>>can't read "auto_path": no such variable
>>     while executing
>>"set auto_path "[split $env(TCLPATH) :] $auto_path""
>>     (file "/software/NMRPIPE/com/readROI" line 5)
>>
>>-Theresa
>>
>>Note, to test the software, cd to:
>>/ibrixfs1/shared/mkennedy/tramelot_king_files0/4d_noesy_spectra/er317_d2o_4d_cc_noesy_7_5_06.fid
>>
>>and then type convert.com to test nmrPipe, or proj4d.com to test the
>>readROI.  You can view the .ft2 files with nmrDraw.
>>
>> > Theresa, give it a try on redhawk.
>> >
>> > To run nmrPipe (or nmrDraw)
>> >
>> >
>> > 1 - connect to the cluster: ssh -Y redhawk.hpc.muohio.edu -l userid
>> >
>> > note; I needed the -Y option to force trusted X11 forwarding
>> >
>> > 2 -  At this point you need to use "tcsh", if you are using any other
>> > shell (csh is fine),
>> > type "tcsh" at the prompt.
>> >
>> > 3 - source the setup file:
>> >
>> > source /software/NMRPIPE/nmrpipe.setup
>> >
>> > This file should setup all variables and give you access to the
>> > executables and scripts.
>> >
>> > 4 - to run nmrDraw, just type it at the prompt. i do not have any
>> > files to test it.
>> >
>> > 5 - later we'll set it so it will run under modules, after we check
>> > if it runs correctly.
>> >
>> >
>> >
>> >
>> > At 12:48 PM 8/19/2006, you wrote:
>> >>Hi Jaime,
>> >>
>> >>I found this on a help page for nmrPipe:
>> >>
>> >>" You can override NMRPipe expiration by setting the following
>> >> environment
>> >>  variable (you can put this in your com/nmrInit.*.com file):
>> >>
>> >>  setenv NMR_CONT CORRECT
>> >>"
>> >>
>> >>I seem to remember that this will work.
>> >>
>> >>Frank Delaglio used to try to make sure everyone was using the most
>> >> recent
>> >>version of nmrPipe/nmrDraw by having the expiration, but now that he
>> has
>> >>left NIH, I don't know if there will be new versions for a while...
>> >>
>> >>-Theresa
>> >>
>> >>
>> >>
>> >>
>> >>
>> >>
>> >>
>> >>
>> >>
>> >>
>> >>
>> >> > Theresa, some bads news (more) I am getting an Expiration error
>> when
>> >> > I try to run nmrDraw or nmrPipe.
>> >> > I'll check further  to see if I can make it run.
>> >> >
>> >> >
>> >> >
>> >> > At 03:59 PM 8/18/2006, you wrote:
>> >> >>Sure, I put the file in ~ramelota on the cluster.  I didn't get you
>> >> >> e-mail
>> >> >>for a few hours, because sometimes my webmail doesn't refresh when
>> I
>> >> hit
>> >> >>the button.  When I log back in, I get e-mail that wasn't there
>> when I
>> >> >>refreshed.  I don't understand why yet.
>> >> >>
>> >> >>Thanks for trying out nmrPipe.  I think our computers will be here
>> >> next
>> >> >>week.  I think the next thing to try out will be getting
>> autostructure
>> >> to
>> >> >>run on the cluster.  I can get you more information on this next
>> week.
>> >> >>
>> >> >>Thanks,
>> >> >>
>> >> >>Theresa
>> >> >>
>> >> >>
>> >> >> > Sure we can try the version you have. Do you have a tar file? If
>> >> you
>> >> >> > could move it to
>> >> >> > the cluster than I can give it a try.
>> >> >> >
>> >> >> >
>> >> >> >
>> >> >> > At 10:55 AM 8/17/2006, you wrote:
>> >> >> >>Hi Jaime,
>> >> >> >>
>> >> >> >>I'm not sure how to get the nmrPipe software now that Frank has
>> >> left
>> >> >> NIH.
>> >> >> >>I have a version on my laptop that you could try.  However, I
>> could
>> >> >> wait
>> >> >> >>and try to install it on our new computers once they arrive.
>> >> >> Supposedly
>> >> >> >>they are going to be shipped out tomorrow and will take 5-7 days
>> to
>> >> >> >>arrive.  I wish we had waited and found a way to buy them
>> through
>> >> the
>> >> >> >>university so we would get the linux installed right away.  It
>> is
>> >> >> >> probably
>> >> >> >>too late to cancel the order.  If I had known it was going to
>> take
>> >> so
>> >> >> >>long, we would have cancelled it already.
>> >> >> >>
>> >> >> >>So, if you would like to try the nmrPipe software on the
>> cluster, I
>> >> >> can
>> >> >> >>give you what I have.  Otherwise, I'll wait for our computers.
>> >> >> >>
>> >> >> >>-Theresa
>> >> >> >>
>> >> >> >>
>> >> >> >> > Sorry Theresa. it took a long time for Frank Delaglio to
>> answer
>> >> my
>> >> >> >> > email and this is what he wrote.
>> >> >> >> >
>> >> >> >> >
>> >> >> >> > (Please Do Not Reply to This Message)
>> >> >> >> >
>> >> >> >> > Dear Colleague,
>> >> >> >> >
>> >> >> >> > Very sorry for any delay in this message, or any
>> inconvenience
>> >> >> >> regarding
>> >> >> >> > your inquiry.  I resigned my permanent staff position at the
>> >> NIH,
>> >> >> >> > effective
>> >> >> >> > April 28, 2006.  I may return to the lab for a transitional
>> >> period,
>> >> >> >> and if
>> >> >> >> > so, I will be sending news via email.
>> >> >> >> >
>> >> >> >> >          Sincerely,
>> >> >> >> >
>> >> >> >> >          Frank Delaglio
>> >> >> >> >
>> >> >> >> >
>> >> >> >> > At 04:40 PM 8/14/2006, Theresa A Ramelot wrote:
>> >> >> >> >>Hi,
>> >> >> >> >>
>> >> >> >> >>Can the nmrPipe/nmrDraw software be next on the list for
>> >> >> installation?
>> >> >> >>  I
>> >> >> >> >>need to process some data and I could do it on my linux
>> laptop,
>> >> but
>> >> >> I
>> >> >> >> >>would have to move the data back and forth, and I don't have
>> >> much
>> >> >> disk
>> >> >> >> >>space.
>> >> >> >> >>
>> >> >> >> >>By the way, the hottip function doesn't seem to be working
>> for
>> >> me.
>> >> >> I
>> >> >> >> did
>> >> >> >> >>hottip NMR and see nothing.  The other hottips just give me
>> the
>> >> >> >> original
>> >> >> >> >>menu, too.
>> >> >> >> >>
>> >> >> >> >>Thanks,
>> >> >> >> >>
>> >> >> >> >>Theresa
>> >> >> >> >>
>> >> >> >> >>________________________________________
>> >> >> >> >>Theresa Ramelot, PhD
>> >> >> >> >>244 Hughes Laboratory
>> >> >> >> >>Department of Chemistry and Biochemistry
>> >> >> >> >>
>> >> >> >> >>FedEx address:
>> >> >> >> >>701 E. High Street
>> >> >> >> >>Department of Chemistry and Biochemistry
>> >> >> >> >>Miami University
>> >> >> >> >>Oxford, OH  45056
>> >> >> >> >>
>> >> >> >> >>work phone:  (513) 529-1631
>> >> >> >> >>fax:  (513) 529-7515
>> >> >> >> >>__________________________________________
>> >> >> >> >
>> >> >> >> > Jaime E. Combariza, Ph.D.
>> >> >> >> > Assistant Director Research Computing
>> >> >> >> > http://www.muohio.edu/researchcomputing
>> >> >> >> > Miami University
>> >> >> >> > (513) 529-5080
>> >> >> >> >
>> >> >> >> >
>> >> >> >
>> >> >> > Jaime E. Combariza, Ph.D.
>> >> >> > Assistant Director Research Computing
>> >> >> > http://www.muohio.edu/researchcomputing
>> >> >> > Miami University
>> >> >> > (513) 529-5080
>> >> >> >
>> >> >> >
>> >> >>
>> >> >>
>> >> >>________________________________________
>> >> >>Theresa Ramelot, PhD
>> >> >>244 Hughes Laboratory
>> >> >>Department of Chemistry and Biochemistry
>> >> >>
>> >> >>FedEx address:
>> >> >>701 E. High Street
>> >> >>Department of Chemistry and Biochemistry
>> >> >>Miami University
>> >> >>Oxford, OH  45056
>> >> >>
>> >> >>work phone:  (513) 529-1631
>> >> >>fax:  (513) 529-7515
>> >> >>__________________________________________
>> >> >
>> >> > Jaime E. Combariza, Ph.D.
>> >> > Assistant Director Research Computing
>> >> > http://www.muohio.edu/researchcomputing
>> >> > Miami University
>> >> > (513) 529-5080
>> >> >
>> >> >
>> >>
>> >>
>> >>________________________________________
>> >>Theresa Ramelot, PhD
>> >>244 Hughes Laboratory
>> >>Department of Chemistry and Biochemistry
>> >>
>> >>FedEx address:
>> >>701 E. High Street
>> >>Department of Chemistry and Biochemistry
>> >>Miami University
>> >>Oxford, OH  45056
>> >>
>> >>work phone:  (513) 529-1631
>> >>fax:  (513) 529-7515
>> >>__________________________________________
>> >
>> > Jaime E. Combariza, Ph.D.
>> > Assistant Director Research Computing
>> > http://www.muohio.edu/researchcomputing
>> > Miami University
>> > (513) 529-5080
>> >
>> >
>
> Jaime E. Combariza, Ph.D.
> Assistant Director Research Computing
> http://www.muohio.edu/researchcomputing
> Miami University
> (513) 529-5080
>
>


________________________________________
Theresa Ramelot, PhD
244 Hughes Laboratory
Department of Chemistry and Biochemistry

FedEx address:
701 E. High Street
Department of Chemistry and Biochemistry
Miami University
Oxford, OH  45056

work phone:  (513) 529-1631
fax:  (513) 529-7515
__________________________________________