Hi igor
Thanks, I will have a look at that
regards
gary
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Dr Gary Thompson [Leeds Biological NMR Facility]
Astbury Centre for Structural Molecular Biology,
University of Leeds,
Leeds, LS2 9JT, West-Yorkshire, UK Tel. +44-113-3433024
email: [log in to unmask]<mailto:[log in to unmask]> Fax +44-113-3431935
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On 4 Feb 2015, at 19:09, Barsukov, Igor <[log in to unmask]<mailto:[log in to unmask]>> wrote:
Hi Gary,
I have a macro that creates a popup to mark peaks as a,a-,b,b-,o or o- in the Details field. I used it for our simulated annealing assignments program, but this is optional. It worked in version 2, probably incompatible with the latest one. Attached is a brief description and the macro. You may find it useful, should be relatively easy to adopt to the latest version.
Igor
Dr. Igor Barsukov
University of Liverpool,
Institute of Integrative Biology,
Biosciences Building,
Crown Street,
Liverpool L69 7ZB
Tel: +44 151 795 4307
________________________________________
From: CcpNmr software mailing list [[log in to unmask]<mailto:[log in to unmask]>] on behalf of Phelan, Marie [[log in to unmask]<mailto:[log in to unmask]>]
Sent: 04 February 2015 16:43
To: [log in to unmask]<mailto:[log in to unmask]>
Subject: Re: assigning HNCA peaks as i and i-1 peaks
Hi Gary
I think Igor's macros used to be available from:
http://www.ccpn.ac.uk/ccpn/software/ccpnmr-analysis/macro-repository
but that page is now missing (possibly the macro never got updated from version 1)
Best wishes
Marie
________________________________________
From: CcpNmr software mailing list [[log in to unmask]] on behalf of Brian Smith [[log in to unmask]]
Sent: Wednesday, February 04, 2015 2:52 PM
To: [log in to unmask]
Subject: Re: assigning HNCA peaks as i and i-1 peaks
Gary,
I think Igor Barsukov had macros to communicate with MARS back in version 1 - you might find his code useful for ideas.
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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The University of Glasgow, charity number SC004401
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From: CcpNmr software mailing list [[log in to unmask]] on behalf of Wayne Boucher [[log in to unmask]]
Sent: 04 February 2015 14:32
To: [log in to unmask]
Subject: Re: assigning HNCA peaks as i and i-1 peaks
Hello,
I'm not sure I am the best person to answer this, but Analysis generally views spin systems as having +-1 connectivity rather than peaks.
One thing you could do is add some text (e.g. +1 or -1) to the "details" for the peak (in the Peak table) and then in Peak -> Draw Parameters make sure you have Details checked.
Wayne
On 3 Feb 2015, at 16:23, Gary Thompson wrote:
Hi
Just a question we had here when thinking about working our way round various pieces of software etc: is there a way to assign peaks in triple resonance experiments such as HNCA as being either i or i-1 in analysis and saving it between sessions? Also is there a way to visibly flag peaks as being assigned to i or i-1 on spectra?
regards
gary
--
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Dr Gary Thompson [Leeds Biological NMR Facility]
Astbury Centre for Structural Molecular Biology,
University of Leeds,
Leeds, LS2 9JT, West-Yorkshire, UK Tel. +44-113-3433024
email: [log in to unmask]<mailto:[log in to unmask]> Fax +44-113-3431935
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<mark_peaks.png><assignBB.py>
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