Dear Charles,
Thank you very much for your help; the initMatch3dC.tcl for the conversion of
13C peaks worked very fine, I applied the same modifications on
initMatch3dN.tcl however when I tried with 15N peaks there was another error
message:
"Missing required flag -namePrefix
Neither -pot or -peakList defined in call to correctUpBoundsForMethyls"
I checked the log file in the beginning it reads the peaks but it stops and
gives error message:
"Neither -pot or -peakList defined in call to correctUpBoundsForMethyls
while executing
"error "Neither -pot or -peakList defined in call to correctUpBoundsForMethyls""
(procedure "correctUpBoundsForMethyls" line 13)
invoked from within
"correctUpBoundsForMethyls -peakList [$pot peaks]"
(procedure "standard3dInitMatch" line 119)
invoked from within
"standard3dInitMatch -pot $noe \
-fromProtonSpectralRangePPM [list 7 10] \
-fromHeavyatomSpectralRangePPM [list 103 132] \
-toProtonSpectr..."
I was wondering if you have idea or if I miss something.
Thank you very much,
Mehdi
________________________________
From: Charles Schwieters <[email protected]>
To: Mehdi Talebzadeh Farooji <[email protected]>
Sent: Thursday, March 1, 2012 3:46:42 PM
Subject: Re: [Xplor-nih] Xeasy to xplor format
Hello Mehdi--
>
> Thank you very much for your help. I have attached files, the tcl script,
> shift list in XEASY format, shift list in pipp format and peak list in xeasy
> format.
>
It turns out there were a couple of problems in the .tcl file, and an
inconsistency in the .str file. I'm attaching revised versions of
both. I may have confused the IDs of the from/to proton ID. Please
check this. In any event, no assignments are made at this
point. Please see the output .peaks.stage1 file. Hopefully, some
simple fixes can move things along...
best regards--
Charles
--
Charles Schwieters email: [email protected]
www: http://schwieters.org/cds
phone: (301) 402-4914 PGP key: http://schwieters.org/cds/pgp.txt
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