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 <charles at schwieters.org> To: Mehdi Talebzadeh Farooji <mahditzf at yahoo.com> Cc: "xplor-nih at nmr.cit.nih.gov" <xplor-nih at nmr.cit.nih.gov> 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:? Charles at Schwieters.org ? ? ? ? ? ? ? ? ? ? ? www:? ? http://schwieters.org/cds phone: (301) 402-4914? PGP key: http://schwieters.org/cds/pgp.txt -------------- next part -------------- An HTML attachment was scrubbed... URL: http://dcb.cit.nih.gov/pipermail/xplor-nih/attachments/20120301/00444f8e/attachment.html
