Hi Kate,
NMRStar format requires the residue numbering to start from 1 in the _Entity_comp_index.ID field, but there's an
_Entity_comp_index.Auth_seq_ID field that is the place for your biologically relevant numbering. As far as I remember, it's true that ECI does not populate this field, so you have to fix it up after the fact. I'm sure the BMRB guys must have a script to do this, as I always have to ask them when I deposit anything.
Brian
Dr. Brian O. Smith --------------------------- Brian Smith at glasgow ac uk
Institute of Molecular, Cell and Systems Biology & School of Life Sciences,
College of Medical, Veterinary & Life Sciences,
Joseph Black Building, University of Glasgow, Glasgow G12 8QQ, UK.
Tel: 0141 330 5167/6459/3089
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From: CcpNmr software mailing list [[log in to unmask]] on behalf of Kate Wegener [[log in to unmask]]
Sent: 06 February 2018 07:06
To: [log in to unmask]
Subject: Residue numbering in ECI
Hi guys,
I'm having trouble accessing the mailing list while I'm away, so I'm not sure if this has been covered somewhere there or not.... Anyway, I'm trying to use the ECI to export my shifts in NMRStar 3.1 format. It seems to export ok, but the residue numbers start from 1, rather than 139 as in the molecule in the project. Is there an option somewhere I can use to fix this?
cheers,
Kate
<http://researchers.adelaide.edu.au/profile/kate.wegener>
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