Hi Charles,
I applied the modification you mentioned in last email, I also converted the
XEASY shift list (.prot file) to pipp by dataconverter on BMRB site, however
when I run the script "initMatch TCL" there is error message:
"Missing required flag -fromHeavyatomColumnName
Neither -pot nor -shiftAssignments defined in call to recordUnfoldedPositions"
Do you have any idea what the problem would be?
Thank you very much
Mehdi
________________________________
From: Charles Schwieters <[email protected]>
To: Mehdi Talebzadeh Farooji <[email protected]>
Cc: "[email protected]" <[email protected]>
Sent: Tuesday, February 28, 2012 5:30:04 PM
Subject: Re: [Xplor-nih] Xeasy to xplor format
Hello Mehdi--
>
> Thank you for your reply; Actually one of output options of SPARKY is XEASY
> format, how can I convert the xeasy format (chemical shift list and peak
> list) to the readable format by XPLOR or PASD?MARVIN facility?
>
xeasy should be directly readble by PASD. In your initMatch TCL
script, place a
package require xeasy
at the top
and then use process3dXeasyPeakTable
Shift tables must be in nmrstar or pipp format. If there is an xeasy
shift format I will gladly add that.
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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